1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

C28H39N3O — CID 43917331

IUPAC1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)NCc3ccc(CN4CCCC(C)C4)cc3)C2)c1
InChIInChI=1S/C28H39N3O/c1-22-6-3-8-26(16-22)20-31-15-5-9-27(21-31)28(32)29-17-24-10-12-25(13-11-24)19-30-14-4-7-23(2)18-30/h3,6,8,10-13,16,23,27H,4-5,7,9,14-15,17-21H2,1-2H3,(H,29,32)
InChIKeySKVCYVGCBGNEDA-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.76
Rot. Bonds7

About 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917331) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID43917331
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)NCc3ccc(CN4CCCC(C)C4)cc3)C2)c1
InChIInChI=1S/C28H39N3O/c1-22-6-3-8-26(16-22)20-31-15-5-9-27(21-31)28(32)29-17-24-10-12-25(13-11-24)19-30-14-4-7-23(2)18-30/h3,6,8,10-13,16,23,27H,4-5,7,9,14-15,17-21H2,1-2H3,(H,29,32)
InChIKeySKVCYVGCBGNEDA-UHFFFAOYSA-N
XLogP4.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917335
1-[(3-bromophenyl)methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917484
1-[(3-chlorophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917655
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 43917331) is 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is Cc1cccc(CN2CCCC(C(=O)NCc3ccc(CN4CCCC(C)C4)cc3)C2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SKVCYVGCBGNEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-22-6-3-8-26(16-22)20-31-15-5-9-27(21-31)28(32)29-17-24-10-12-25(13-11-24)19-30-14-4-7-23(2)18-30/h3,6,8,10-13,16,23,27H,4-5,7,9,14-15,17-21H2,1-2H3,(H,29,32).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 433.64 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).