(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide

C17H24N2O3 — CID 94168581

IUPAC(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)N(C)CCCOc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-18-11-9-14(13-16(18)20)17(21)19(2)10-6-12-22-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3/t14-/m0/s1
InChIKeyGBDVOTHSYBQORG-AWEZNQCLSA-N
MW304.39 g/mol
LogP1.78
Rot. Bonds6

About (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide

(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide (PubChem CID 94168581) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
PubChem CID94168581
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)N(C)CCCOc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-18-11-9-14(13-16(18)20)17(21)19(2)10-6-12-22-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3/t14-/m0/s1
InChIKeyGBDVOTHSYBQORG-AWEZNQCLSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 125150139
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
CID 55654265
N-methyl-N-(2-phenoxyethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 39912164
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903953
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97116300

Frequently Asked Questions

What is the IUPAC name of (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The IUPAC name of (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide (CID 94168581) is (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide is CN1CC[C@H](C(=O)N(C)CCCOc2ccccc2)CC1=O.
What is the InChIKey of (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The InChIKey is GBDVOTHSYBQORG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-11-9-14(13-16(18)20)17(21)19(2)10-6-12-22-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide?
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 94168581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).