1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid

C16H28N2O3 — CID 63135923

IUPAC1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)N(C)C2CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-9-16(14(19)20)10-6-11-18(12-16)15(21)17(2)13-7-4-5-8-13/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyKMDNJYBUROTYJJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds4

About 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid

1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63135923) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63135923
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)N(C)C2CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-9-16(14(19)20)10-6-11-18(12-16)15(21)17(2)13-7-4-5-8-13/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyKMDNJYBUROTYJJ-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-[methyl(2-methylsulfanylethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 115986460
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135500
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid (CID 63135923) is 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)N(C)C2CCCC2)C1.
What is the InChIKey of 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is KMDNJYBUROTYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-9-16(14(19)20)10-6-11-18(12-16)15(21)17(2)13-7-4-5-8-13/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).