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

C28H39N3O — CID 43917627

IUPAC1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCc3cccc(CN4CCC(C)CC4)c3)CC2)cc1
InChIInChI=1S/C28H39N3O/c1-22-6-8-24(9-7-22)20-31-16-12-27(13-17-31)28(32)29-19-25-4-3-5-26(18-25)21-30-14-10-23(2)11-15-30/h3-9,18,23,27H,10-17,19-21H2,1-2H3,(H,29,32)
InChIKeyCEEOZMICIVSZKB-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.76
Rot. Bonds7

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

1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 43917627) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID43917627
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCc3cccc(CN4CCC(C)CC4)c3)CC2)cc1
InChIInChI=1S/C28H39N3O/c1-22-6-8-24(9-7-22)20-31-16-12-27(13-17-31)28(32)29-19-25-4-3-5-26(18-25)21-30-14-10-23(2)11-15-30/h3-9,18,23,27H,10-17,19-21H2,1-2H3,(H,29,32)
InChIKeyCEEOZMICIVSZKB-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-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
1-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxamide
CID 10193648
1-[[3-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxamide
CID 10286858
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzamide
CID 14783864
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(4-methylphenyl)piperidine-4-carboxamide
CID 57397021
1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903395
4-(4-benzhydrylpiperazin-1-yl)-N-butyl-4-oxobutanamide;hydrochloride
CID 23724279
4-Phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11463791
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide
CID 14553493
N,1-dibenzylpiperidine-4-carboxamide
CID 25249190
Rac-8-(1-phenyl-cyclohexyl)-4-p-tolyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414777

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 43917627) is 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)NCc3cccc(CN4CCC(C)CC4)c3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is CEEOZMICIVSZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-22-6-8-24(9-7-22)20-31-16-12-27(13-17-31)28(32)29-19-25-4-3-5-26(18-25)21-30-14-10-23(2)11-15-30/h3-9,18,23,27H,10-17,19-21H2,1-2H3,(H,29,32).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-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-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43917627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).