1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide

C23H37N3O2 — CID 136512341

IUPAC1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(27)16-25-12-8-21(9-13-25)17-24(2)23(28)22-10-14-26(15-11-22)18-20-6-4-3-5-7-20/h3-7,19,21-22,27H,8-18H2,1-2H3
InChIKeyCDLVFRPJQKXIDS-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.45
Rot. Bonds7

About 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide

1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 136512341) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID136512341
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(27)16-25-12-8-21(9-13-25)17-24(2)23(28)22-10-14-26(15-11-22)18-20-6-4-3-5-7-20/h3-7,19,21-22,27H,8-18H2,1-2H3
InChIKeyCDLVFRPJQKXIDS-UHFFFAOYSA-N
XLogP2.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120646459
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66565350
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171336100
N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 70777786

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 136512341) is 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide is CC(O)CN1CCC(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CDLVFRPJQKXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-19(27)16-25-12-8-21(9-13-25)17-24(2)23(28)22-10-14-26(15-11-22)18-20-6-4-3-5-7-20/h3-7,19,21-22,27H,8-18H2,1-2H3.
What are the key properties of 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide?
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 136512341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).