1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

C11H18N2O3 — CID 63123468

IUPAC1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H18N2O3/c1-11(9(14)15)4-6-13(7-5-11)10(16)12-8-2-3-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyKWGRNZWYBMHKRW-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.05
Rot. Bonds2

About 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123468) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123468
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H18N2O3/c1-11(9(14)15)4-6-13(7-5-11)10(16)12-8-2-3-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyKWGRNZWYBMHKRW-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid
CID 167930653
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136585
1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83029338
4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
CID 107162744
3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568
3-amino-N-cyclopropyl-4,4-dimethylpiperidine-1-carboxamide
CID 115269980
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
4-[[4-(methoxymethyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023688
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (CID 63123468) is 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KWGRNZWYBMHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(9(14)15)4-6-13(7-5-11)10(16)12-8-2-3-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).