N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide

C20H31N3O — CID 60597786

IUPACN-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O/c1-17-7-5-12-23(14-17)20(24)21-13-19-10-6-11-22(16-19)15-18-8-3-2-4-9-18/h2-4,8-9,17,19H,5-7,10-16H2,1H3,(H,21,24)
InChIKeyZODXPSIRCURBEP-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.34
Rot. Bonds4

About N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide

N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 60597786) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID60597786
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O/c1-17-7-5-12-23(14-17)20(24)21-13-19-10-6-11-22(16-19)15-18-8-3-2-4-9-18/h2-4,8-9,17,19H,5-7,10-16H2,1H3,(H,21,24)
InChIKeyZODXPSIRCURBEP-UHFFFAOYSA-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-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
1-benzyl-3-methylpiperidine
CID 2794856
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide (CID 60597786) is N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCC2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is ZODXPSIRCURBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-7-5-12-23(14-17)20(24)21-13-19-10-6-11-22(16-19)15-18-8-3-2-4-9-18/h2-4,8-9,17,19H,5-7,10-16H2,1H3,(H,21,24).
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide?
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-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 N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60597786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).