N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C24H27N3O4 — CID 39571943

IUPACN-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-17-5-7-19(8-6-17)24(30)27-13-11-26(12-14-27)22(28)16-31-21-4-2-3-20(15-21)25-23(29)18-9-10-18/h2-8,15,18H,9-14,16H2,1H3,(H,25,29)
InChIKeyUUHMYOVIIWODCL-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.71
Rot. Bonds6

About N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 39571943) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID39571943
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-17-5-7-19(8-6-17)24(30)27-13-11-26(12-14-27)22(28)16-31-21-4-2-3-20(15-21)25-23(29)18-9-10-18/h2-8,15,18H,9-14,16H2,1H3,(H,25,29)
InChIKeyUUHMYOVIIWODCL-UHFFFAOYSA-N
XLogP2.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
CID 55633395
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 51132954
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119624774
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate
CID 2050328
N-[3-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616225

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 39571943) is N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)CC2)cc1.
What is the InChIKey of N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is UUHMYOVIIWODCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17-5-7-19(8-6-17)24(30)27-13-11-26(12-14-27)22(28)16-31-21-4-2-3-20(15-21)25-23(29)18-9-10-18/h2-8,15,18H,9-14,16H2,1H3,(H,25,29).
What are the key properties of N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 39571943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).