N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide

C35H42N6O4 — CID 11192796

IUPACN,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide
SMILESN#Cc1ccc(CN2CCCC(NC(=O)CCCCCCCC(=O)NC3CCCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cc1
InChIInChI=1S/C35H42N6O4/c36-22-26-12-16-28(17-13-26)24-40-20-6-8-30(34(40)44)38-32(42)10-4-2-1-3-5-11-33(43)39-31-9-7-21-41(35(31)45)25-29-18-14-27(23-37)15-19-29/h12-19,30-31H,1-11,20-21,24-25H2,(H,38,42)(H,39,43)
InChIKeyBFNABZFIJWENGP-UHFFFAOYSA-N
MW610.76 g/mol
LogP4.08
Rot. Bonds14

About N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide

N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide (PubChem CID 11192796) has the molecular formula C35H42N6O4 and a molecular weight of 610.76 g/mol. Its IUPAC name is N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide
PubChem CID11192796
Molecular FormulaC35H42N6O4
Molecular Weight610.76 g/mol
Exact Mass610.33
IUPAC NameN,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide
SMILESN#Cc1ccc(CN2CCCC(NC(=O)CCCCCCCC(=O)NC3CCCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cc1
InChIInChI=1S/C35H42N6O4/c36-22-26-12-16-28(17-13-26)24-40-20-6-8-30(34(40)44)38-32(42)10-4-2-1-3-5-11-33(43)39-31-9-7-21-41(35(31)45)25-29-18-14-27(23-37)15-19-29/h12-19,30-31H,1-11,20-21,24-25H2,(H,38,42)(H,39,43)
InChIKeyBFNABZFIJWENGP-UHFFFAOYSA-N
XLogP4.08
TPSA146.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.76
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[1-[(4-aminophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11226606
N,N'-bis[1-[(4-nitrophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11786804
(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 99832469
4-[(3-amino-2-oxopiperidin-1-yl)methyl]benzonitrile
CID 11195559
3-chloro-N-[2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]azepan-3-yl]propanamide
CID 56643326
7-[4-(4-cyanophenyl)phenyl]-N-[2-[7-[4-(4-cyanophenyl)phenyl]heptanoylamino]cyclohexyl]heptanamide
CID 20670437
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 136518534
N-[2-[7-[4-(4-cyanophenyl)phenyl]heptanoylamino]cyclohexyl]-7-[4-(4-methylphenyl)phenyl]heptanamide
CID 20670438
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94824556
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94824555

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide?
The IUPAC name of N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide (CID 11192796) is N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide.
What is the SMILES notation for N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide?
The canonical SMILES for N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide is N#Cc1ccc(CN2CCCC(NC(=O)CCCCCCCC(=O)NC3CCCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cc1.
What is the InChIKey of N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide?
The InChIKey is BFNABZFIJWENGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O4/c36-22-26-12-16-28(17-13-26)24-40-20-6-8-30(34(40)44)38-32(42)10-4-2-1-3-5-11-33(43)39-31-9-7-21-41(35(31)45)25-29-18-14-27(23-37)15-19-29/h12-19,30-31H,1-11,20-21,24-25H2,(H,38,42)(H,39,43).
What are the key properties of N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide?
N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide has a molecular weight of 610.76 g/mol, XLogP of 4.08, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide is sourced from PubChem (CID 11192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).