(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid

C15H20N2O3 — CID 28512559

IUPAC(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCc1ccccc1NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-2-11-6-3-4-8-13(11)16-15(20)17-9-5-7-12(10-17)14(18)19/h3-4,6,8,12H,2,5,7,9-10H2,1H3,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyPVIFWOZGAGHFTA-LBPRGKRZSA-N
MW276.34 g/mol
LogP2.58
Rot. Bonds3

About (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 28512559) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID28512559
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCc1ccccc1NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-2-11-6-3-4-8-13(11)16-15(20)17-9-5-7-12(10-17)14(18)19/h3-4,6,8,12H,2,5,7,9-10H2,1H3,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyPVIFWOZGAGHFTA-LBPRGKRZSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95709749
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 28512559) is (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid is CCc1ccccc1NC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PVIFWOZGAGHFTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-11-6-3-4-8-13(11)16-15(20)17-9-5-7-12(10-17)14(18)19/h3-4,6,8,12H,2,5,7,9-10H2,1H3,(H,16,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 28512559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).