3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide

C30H34BrN3O — CID 24739554

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
InChIKeyWSPJCXDAFUSHQL-UHFFFAOYSA-N
MW532.53 g/mol
LogP6.93
Rot. Bonds5

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide (PubChem CID 24739554) has the molecular formula C30H34BrN3O and a molecular weight of 532.53 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide
PubChem CID24739554
Molecular FormulaC30H34BrN3O
Molecular Weight532.53 g/mol
Exact Mass531.19
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
InChIKeyWSPJCXDAFUSHQL-UHFFFAOYSA-N
XLogP6.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]pyrimidine
CID 71174197
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
N-[2-(azepane-1-carbonyl)phenyl]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 38099889
N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 17377817
1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 134070879
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide (CID 24739554) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide?
The InChIKey is WSPJCXDAFUSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide has a molecular weight of 532.53 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 24739554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).