(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide

C19H27N3O3 — CID 125043020

IUPAC(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C19H27N3O3/c1-22-10-4-6-14(13-22)18(23)21-17-9-3-2-8-16(17)19(24)20-12-15-7-5-11-25-15/h2-3,8-9,14-15H,4-7,10-13H2,1H3,(H,20,24)(H,21,23)/t14-,15+/m0/s1
InChIKeyYOBFFHKRICZZEO-LSDHHAIUSA-N
MW345.44 g/mol
LogP1.88
Rot. Bonds5

About (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide

(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 125043020) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID125043020
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C19H27N3O3/c1-22-10-4-6-14(13-22)18(23)21-17-9-3-2-8-16(17)19(24)20-12-15-7-5-11-25-15/h2-3,8-9,14-15H,4-7,10-13H2,1H3,(H,20,24)(H,21,23)/t14-,15+/m0/s1
InChIKeyYOBFFHKRICZZEO-LSDHHAIUSA-N
XLogP1.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide
CID 94161698
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
1-(3,4-dimethylphenyl)sulfonyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 26008321
1-(4-methoxyphenyl)sulfonyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 100656018
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide (CID 125043020) is (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide is CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1.
What is the InChIKey of (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is YOBFFHKRICZZEO-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-22-10-4-6-14(13-22)18(23)21-17-9-3-2-8-16(17)19(24)20-12-15-7-5-11-25-15/h2-3,8-9,14-15H,4-7,10-13H2,1H3,(H,20,24)(H,21,23)/t14-,15+/m0/s1.
What are the key properties of (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide?
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 125043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).