2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 114429200

IUPAC2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCNC(C(=O)NCC2CCCC2C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-2-10-6-7-16-13(8-10)14(18)17-9-11-4-3-5-12(11)15(19)20/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLDAKUZKDHJVISD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.38
Rot. Bonds5

About 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114429200) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114429200
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCNC(C(=O)NCC2CCCC2C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-2-10-6-7-16-13(8-10)14(18)17-9-11-4-3-5-12(11)15(19)20/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLDAKUZKDHJVISD-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901218
ethane;ethylboronic acid;2-[(pyrrolidine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 164549584
4-ethyl-N-[(3-hydroxycyclopentyl)methyl]piperidine-2-carboxamide
CID 114148003
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302
4-ethyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 114428024
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
4-ethyl-N-(3-ethyl-2-hydroxypentyl)piperidine-2-carboxamide
CID 106286595
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064
4-ethyl-N-(4-hydroxybutyl)piperidine-2-carboxamide
CID 106841954

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 114429200) is 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is CCC1CCNC(C(=O)NCC2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LDAKUZKDHJVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-10-6-7-16-13(8-10)14(18)17-9-11-4-3-5-12(11)15(19)20/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114429200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).