2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid

C16H22N2O3 — CID 61189756

IUPAC2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCc1cccc(NC(=O)N2CCCCC2CC(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-2-12-6-5-7-13(10-12)17-16(21)18-9-4-3-8-14(18)11-15(19)20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyNGMDHBFHPGRGHO-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61189756) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61189756
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCc1cccc(NC(=O)N2CCCCC2CC(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-2-12-6-5-7-13(10-12)17-16(21)18-9-4-3-8-14(18)11-15(19)20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyNGMDHBFHPGRGHO-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371172
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 72885918

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61189756) is 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid is CCc1cccc(NC(=O)N2CCCCC2CC(=O)O)c1.
What is the InChIKey of 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is NGMDHBFHPGRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-6-5-7-13(10-12)17-16(21)18-9-4-3-8-14(18)11-15(19)20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61189756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).