1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid

C14H18N2O3 — CID 43440689

IUPAC1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccccc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c15-13(17)12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)(H,18,19)
InChIKeyPFKFPKFLMQVTLB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.08
Rot. Bonds4

About 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid

1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440689) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID43440689
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccccc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c15-13(17)12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)(H,18,19)
InChIKeyPFKFPKFLMQVTLB-UHFFFAOYSA-N
XLogP1.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040656
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 43440688
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606723
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]benzoic acid
CID 56703546

Frequently Asked Questions

What is the IUPAC name of 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid (CID 43440689) is 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid is NC(=O)c1ccccc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is PFKFPKFLMQVTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-13(17)12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)(H,18,19).
What are the key properties of 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).