1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid

C16H28N2O3 — CID 104597132

IUPAC1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESCC1(C(=O)NCC2(C(=O)O)CCCCCC2)CCCCN1
InChIInChI=1S/C16H28N2O3/c1-15(8-6-7-11-18-15)13(19)17-12-16(14(20)21)9-4-2-3-5-10-16/h18H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyZYXYDXZKZHSAAP-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.06
Rot. Bonds4

About 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid

1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 104597132) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID104597132
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESCC1(C(=O)NCC2(C(=O)O)CCCCCC2)CCCCN1
InChIInChI=1S/C16H28N2O3/c1-15(8-6-7-11-18-15)13(19)17-12-16(14(20)21)9-4-2-3-5-10-16/h18H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyZYXYDXZKZHSAAP-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106101397
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596904
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid (CID 104597132) is 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid is CC1(C(=O)NCC2(C(=O)O)CCCCCC2)CCCCN1.
What is the InChIKey of 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is ZYXYDXZKZHSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(8-6-7-11-18-15)13(19)17-12-16(14(20)21)9-4-2-3-5-10-16/h18H,2-12H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 104597132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).