1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid

C13H22N2O3 — CID 43270721

IUPAC1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(C(=O)N1CCCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-2-7-15(11-5-6-11)13(18)14-8-3-4-10(9-14)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyWQXDWNQAWQCPBV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds4

About 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid

1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43270721) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID43270721
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(C(=O)N1CCCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-2-7-15(11-5-6-11)13(18)14-8-3-4-10(9-14)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyWQXDWNQAWQCPBV-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81118602
(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120227
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
CID 102865230
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid (CID 43270721) is 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid is CCCN(C(=O)N1CCCC(C(=O)O)C1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WQXDWNQAWQCPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-7-15(11-5-6-11)13(18)14-8-3-4-10(9-14)12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43270721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).