(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone

C27H36N2O — CID 3482407

IUPAC(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
SMILESCCc1ccc(CN2CCCC(C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C27H36N2O/c1-2-22-10-12-25(13-11-22)20-28-16-6-9-26(21-28)27(30)29-17-14-24(15-18-29)19-23-7-4-3-5-8-23/h3-5,7-8,10-13,24,26H,2,6,9,14-21H2,1H3
InChIKeyNLHNAFQMEUFEJE-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.94
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 3482407) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
PubChem CID3482407
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC Name(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
SMILESCCc1ccc(CN2CCCC(C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C27H36N2O/c1-2-22-10-12-25(13-11-22)20-28-16-6-9-26(21-28)27(30)29-17-14-24(15-18-29)19-23-7-4-3-5-8-23/h3-5,7-8,10-13,24,26H,2,6,9,14-21H2,1H3
InChIKeyNLHNAFQMEUFEJE-UHFFFAOYSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542
(4-benzylpiperidin-1-yl)-[(3R)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]methanone
CID 7344095
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone (CID 3482407) is (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone is CCc1ccc(CN2CCCC(C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is NLHNAFQMEUFEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-2-22-10-12-25(13-11-22)20-28-16-6-9-26(21-28)27(30)29-17-14-24(15-18-29)19-23-7-4-3-5-8-23/h3-5,7-8,10-13,24,26H,2,6,9,14-21H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 404.60 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 3482407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).