(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide

C20H31N3O2 — CID 94799885

IUPAC(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1
InChIInChI=1S/C20H31N3O2/c1-5-19(24)23-12-6-7-17(14-23)20(25)21-13-18(22(3)4)16-10-8-15(2)9-11-16/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,21,25)/t17-,18-/m0/s1
InChIKeyKJSCNNIHZDNGSJ-ROUUACIJSA-N
MW345.49 g/mol
LogP2.36
Rot. Bonds6

About (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide

(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 94799885) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID94799885
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1
InChIInChI=1S/C20H31N3O2/c1-5-19(24)23-12-6-7-17(14-23)20(25)21-13-18(22(3)4)16-10-8-15(2)9-11-16/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,21,25)/t17-,18-/m0/s1
InChIKeyKJSCNNIHZDNGSJ-ROUUACIJSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
CID 94023540
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
CID 111451571
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787308
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443868
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94609410
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55575997

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide (CID 94799885) is (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1.
What is the InChIKey of (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is KJSCNNIHZDNGSJ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-19(24)23-12-6-7-17(14-23)20(25)21-13-18(22(3)4)16-10-8-15(2)9-11-16/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,21,25)/t17-,18-/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 94799885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).