1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene

C35H42ClN5O3 — CID 143057852

IUPAC1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene
SMILESCc1ccc(Cl)cc1.NC1c2ccccc2CCC1C(=O)NCC(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1
InChIInChI=1S/C28H35N5O3.C7H7Cl/c29-27-22-8-3-1-6-20(22)11-12-23(27)28(36)30-18-26(35)32-16-14-31(15-17-32)24-9-4-2-7-21(24)19-33-13-5-10-25(33)34;1-6-2-4-7(8)5-3-6/h1-4,6-9,23,27H,5,10-19,29H2,(H,30,36);2-5H,1H3
InChIKeySTENGRZRUAYYKC-UHFFFAOYSA-N
MW616.21 g/mol
LogP4.48
Rot. Bonds6

About 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene

1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene (PubChem CID 143057852) has the molecular formula C35H42ClN5O3 and a molecular weight of 616.21 g/mol. Its IUPAC name is 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene.

Molecular Properties

Compound Name1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene
PubChem CID143057852
Molecular FormulaC35H42ClN5O3
Molecular Weight616.21 g/mol
Exact Mass615.30
IUPAC Name1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene
SMILESCc1ccc(Cl)cc1.NC1c2ccccc2CCC1C(=O)NCC(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1
InChIInChI=1S/C28H35N5O3.C7H7Cl/c29-27-22-8-3-1-6-20(22)11-12-23(27)28(36)30-18-26(35)32-16-14-31(15-17-32)24-9-4-2-7-21(24)19-33-13-5-10-25(33)34;1-6-2-4-7(8)5-3-6/h1-4,6-9,23,27H,5,10-19,29H2,(H,30,36);2-5H,1H3
InChIKeySTENGRZRUAYYKC-UHFFFAOYSA-N
XLogP4.48
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.21
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene with MolForge

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Related Compounds

1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene
CID 143057849
6,7-dihydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]chromene-2-carboxamide
CID 142941898
2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide
CID 143057845
(3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 162340354
6-[methyl(methylsulfanyl)amino]-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]chromene-2-carboxamide;2-methylnaphthalene
CID 142941860
N-[(2R)-1-(4-chlorophenyl)-4-oxo-4-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 10484381
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
N-[(Z)-4-(4-chlorophenyl)-1-[1-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-4-ylidene]but-3-en-2-yl]-2-[(2-methylphenyl)methylamino]propanamide
CID 142942073
1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
CID 143057863
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55991774
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 14615409
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide
CID 58768447

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene?
The IUPAC name of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene (CID 143057852) is 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene.
What is the SMILES notation for 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene?
The canonical SMILES for 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene is Cc1ccc(Cl)cc1.NC1c2ccccc2CCC1C(=O)NCC(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1.
What is the InChIKey of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene?
The InChIKey is STENGRZRUAYYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C7H7Cl/c29-27-22-8-3-1-6-20(22)11-12-23(27)28(36)30-18-26(35)32-16-14-31(15-17-32)24-9-4-2-7-21(24)19-33-13-5-10-25(33)34;1-6-2-4-7(8)5-3-6/h1-4,6-9,23,27H,5,10-19,29H2,(H,30,36);2-5H,1H3.
What are the key properties of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene?
1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene has a molecular weight of 616.21 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-4-methylbenzene is sourced from PubChem (CID 143057852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).