1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid

C16H26N2O4 — CID 120539156

IUPAC1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCCC2)CC1
InChIInChI=1S/C16H26N2O4/c1-12(19)18-10-6-13(7-11-18)14(20)17-16(15(21)22)8-4-2-3-5-9-16/h13H,2-11H2,1H3,(H,17,20)(H,21,22)
InChIKeyHJTUORKJNMCXDD-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.54
Rot. Bonds3

About 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 120539156) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID120539156
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCCC2)CC1
InChIInChI=1S/C16H26N2O4/c1-12(19)18-10-6-13(7-11-18)14(20)17-16(15(21)22)8-4-2-3-5-9-16/h13H,2-11H2,1H3,(H,17,20)(H,21,22)
InChIKeyHJTUORKJNMCXDD-UHFFFAOYSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164173
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
(3S)-1-acetyl-N-(1-phenylcyclopentyl)pyrrolidine-3-carboxamide
CID 92633244
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 120539156) is 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid is CC(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCCC2)CC1.
What is the InChIKey of 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is HJTUORKJNMCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-12(19)18-10-6-13(7-11-18)14(20)17-16(15(21)22)8-4-2-3-5-9-16/h13H,2-11H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120539156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).