N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide

C22H25N3O2 — CID 126452522

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2=O)c1
InChIInChI=1S/C22H25N3O2/c1-15-11-16(2)13-18(12-15)25-10-9-24(14-21(25)26)22(27)23-20-8-7-17-5-3-4-6-19(17)20/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyLBUDVJGWUOJZRM-FQEVSTJZSA-N
MW363.46 g/mol
LogP3.35
Rot. Bonds2

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 126452522) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
PubChem CID126452522
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2=O)c1
InChIInChI=1S/C22H25N3O2/c1-15-11-16(2)13-18(12-15)25-10-9-24(14-21(25)26)22(27)23-20-8-7-17-5-3-4-6-19(17)20/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyLBUDVJGWUOJZRM-FQEVSTJZSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 110882685
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 95134326
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
CID 118794821
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide
CID 60577741
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325904
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727
4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
CID 172658297
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide (CID 126452522) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide is Cc1cc(C)cc(N2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2=O)c1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is LBUDVJGWUOJZRM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-11-16(2)13-18(12-15)25-10-9-24(14-21(25)26)22(27)23-20-8-7-17-5-3-4-6-19(17)20/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 126452522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).