4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid

C17H30N2O4 — CID 167930653

IUPAC4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)OC1CCC(NC(=O)N2CCC(C)(C(=O)O)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-12(2)23-14-6-4-13(5-7-14)18-16(22)19-10-8-17(3,9-11-19)15(20)21/h12-14H,4-11H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyOFZIVXCZZBZIBD-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 167930653) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID167930653
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)OC1CCC(NC(=O)N2CCC(C)(C(=O)O)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-12(2)23-14-6-4-13(5-7-14)18-16(22)19-10-8-17(3,9-11-19)15(20)21/h12-14H,4-11H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyOFZIVXCZZBZIBD-UHFFFAOYSA-N
XLogP2.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
CID 107162744
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 126752760
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147981
1-[(4-hydroxycyclohexyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983643
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid (CID 167930653) is 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid is CC(C)OC1CCC(NC(=O)N2CCC(C)(C(=O)O)CC2)CC1.
What is the InChIKey of 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is OFZIVXCZZBZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12(2)23-14-6-4-13(5-7-14)18-16(22)19-10-8-17(3,9-11-19)15(20)21/h12-14H,4-11H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167930653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).