3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide

C24H30BrN3O — CID 24739889

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide
SMILESNC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C24H30BrN3O/c25-22-9-7-19(8-10-22)17-27-15-11-21(12-16-27)24(20-5-2-1-3-6-20)13-4-14-28(18-24)23(26)29/h1-3,5-10,21H,4,11-18H2,(H2,26,29)
InChIKeyNGZFECHQBATTIB-UHFFFAOYSA-N
MW456.43 g/mol
LogP4.77
Rot. Bonds4

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide (PubChem CID 24739889) has the molecular formula C24H30BrN3O and a molecular weight of 456.43 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide
PubChem CID24739889
Molecular FormulaC24H30BrN3O
Molecular Weight456.43 g/mol
Exact Mass455.16
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide
SMILESNC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C24H30BrN3O/c25-22-9-7-19(8-10-22)17-27-15-11-21(12-16-27)24(20-5-2-1-3-6-20)13-4-14-28(18-24)23(26)29/h1-3,5-10,21H,4,11-18H2,(H2,26,29)
InChIKeyNGZFECHQBATTIB-UHFFFAOYSA-N
XLogP4.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide (CID 24739889) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide is NC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is NGZFECHQBATTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN3O/c25-22-9-7-19(8-10-22)17-27-15-11-21(12-16-27)24(20-5-2-1-3-6-20)13-4-14-28(18-24)23(26)29/h1-3,5-10,21H,4,11-18H2,(H2,26,29).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 456.43 g/mol, XLogP of 4.77, 4 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]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 24739889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).