(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide

C17H27N3O2 — CID 96545860

IUPAC(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
SMILESC[C@@H](CNC(=O)N1CCC[C@H](CO)C1)N(C)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-14(19(2)16-8-4-3-5-9-16)11-18-17(22)20-10-6-7-15(12-20)13-21/h3-5,8-9,14-15,21H,6-7,10-13H2,1-2H3,(H,18,22)/t14-,15-/m0/s1
InChIKeyRPCZCPMKGUDKDI-GJZGRUSLSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds5

About (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide

(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide (PubChem CID 96545860) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
PubChem CID96545860
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
SMILESC[C@@H](CNC(=O)N1CCC[C@H](CO)C1)N(C)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-14(19(2)16-8-4-3-5-9-16)11-18-17(22)20-10-6-7-15(12-20)13-21/h3-5,8-9,14-15,21H,6-7,10-13H2,1-2H3,(H,18,22)/t14-,15-/m0/s1
InChIKeyRPCZCPMKGUDKDI-GJZGRUSLSA-N
XLogP1.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
CID 110896024
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969197
(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
CID 99832587
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide (CID 96545860) is (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide is C[C@@H](CNC(=O)N1CCC[C@H](CO)C1)N(C)c1ccccc1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide?
The InChIKey is RPCZCPMKGUDKDI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(19(2)16-8-4-3-5-9-16)11-18-17(22)20-10-6-7-15(12-20)13-21/h3-5,8-9,14-15,21H,6-7,10-13H2,1-2H3,(H,18,22)/t14-,15-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide?
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 96545860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).