N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide

C21H31N3O3 — CID 53138083

IUPACN-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(CCC(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-16-5-2-7-18(13-16)23-21(26)24-11-3-6-17(15-24)9-10-20(25)22-14-19-8-4-12-27-19/h2,5,7,13,17,19H,3-4,6,8-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyJMMKROSUQFDKIG-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.31
Rot. Bonds6

About N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide

N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide (PubChem CID 53138083) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
PubChem CID53138083
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(CCC(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-16-5-2-7-18(13-16)23-21(26)24-11-3-6-17(15-24)9-10-20(25)22-14-19-8-4-12-27-19/h2,5,7,13,17,19H,3-4,6,8-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyJMMKROSUQFDKIG-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
CID 95093989
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943652
N-(3-chlorophenyl)-4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidine-1-carboxamide
CID 93071875
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide (CID 53138083) is N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(CCC(=O)NCC3CCCO3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide?
The InChIKey is JMMKROSUQFDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-5-2-7-18(13-16)23-21(26)24-11-3-6-17(15-24)9-10-20(25)22-14-19-8-4-12-27-19/h2,5,7,13,17,19H,3-4,6,8-12,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide?
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 53138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).