(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide

C18H29N3O — CID 120636391

IUPAC(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
SMILESCC(CNC(=O)[C@H]1CCN[C@@H](C)C1)N(C)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-14-11-17(9-10-19-14)18(22)20-12-15(2)21(3)13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,20,22)/t14-,15?,17-/m0/s1
InChIKeyPIAWRDFAXXHUTN-AYWPPYMVSA-N
MW303.45 g/mol
LogP2.01
Rot. Bonds6

About (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120636391) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
PubChem CID120636391
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
SMILESCC(CNC(=O)[C@H]1CCN[C@@H](C)C1)N(C)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-14-11-17(9-10-19-14)18(22)20-12-15(2)21(3)13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,20,22)/t14-,15?,17-/m0/s1
InChIKeyPIAWRDFAXXHUTN-AYWPPYMVSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621886
(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120634583
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide (CID 120636391) is (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide is CC(CNC(=O)[C@H]1CCN[C@@H](C)C1)N(C)Cc1ccccc1.
What is the InChIKey of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is PIAWRDFAXXHUTN-AYWPPYMVSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-11-17(9-10-19-14)18(22)20-12-15(2)21(3)13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,20,22)/t14-,15?,17-/m0/s1.
What are the key properties of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120636391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).