(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

C20H31N3O — CID 52505386

IUPAC(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C[C@H]2CCCN(C(=O)NCc3ccccc3)C2)CC1
InChIInChI=1S/C20H31N3O/c1-17-9-12-22(13-10-17)15-19-8-5-11-23(16-19)20(24)21-14-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyPTIACCDNOUTPEO-LJQANCHMSA-N
MW329.49 g/mol
LogP3.34
Rot. Bonds4

About (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 52505386) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID52505386
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C[C@H]2CCCN(C(=O)NCc3ccccc3)C2)CC1
InChIInChI=1S/C20H31N3O/c1-17-9-12-22(13-10-17)15-19-8-5-11-23(16-19)20(24)21-14-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyPTIACCDNOUTPEO-LJQANCHMSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 119953477
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
N-benzyl-4-methylpiperidine-1-carbothioamide
CID 19653857
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
N-benzylazonane-1-carboxamide
CID 130689649
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 56825492

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 52505386) is (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is CC1CCN(C[C@H]2CCCN(C(=O)NCc3ccccc3)C2)CC1.
What is the InChIKey of (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is PTIACCDNOUTPEO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-9-12-22(13-10-17)15-19-8-5-11-23(16-19)20(24)21-14-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 52505386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).