N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C24H34BrN3O2 — CID 60621740

IUPACN-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1(Cc2ccc(Br)cc2)CCCCC1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H34BrN3O2/c25-21-8-6-19(7-9-21)18-24(12-2-1-3-13-24)26-22(29)20-10-16-28(17-11-20)23(30)27-14-4-5-15-27/h6-9,20H,1-5,10-18H2,(H,26,29)
InChIKeyCPEZOLHXXLAAAJ-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.74
Rot. Bonds4

About N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 60621740) has the molecular formula C24H34BrN3O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID60621740
Molecular FormulaC24H34BrN3O2
Molecular Weight476.46 g/mol
Exact Mass475.18
IUPAC NameN-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1(Cc2ccc(Br)cc2)CCCCC1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H34BrN3O2/c25-21-8-6-19(7-9-21)18-24(12-2-1-3-13-24)26-22(29)20-10-16-28(17-11-20)23(30)27-14-4-5-15-27/h6-9,20H,1-5,10-18H2,(H,26,29)
InChIKeyCPEZOLHXXLAAAJ-UHFFFAOYSA-N
XLogP4.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 60621740) is N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is CPEZOLHXXLAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34BrN3O2/c25-21-8-6-19(7-9-21)18-24(12-2-1-3-13-24)26-22(29)20-10-16-28(17-11-20)23(30)27-14-4-5-15-27/h6-9,20H,1-5,10-18H2,(H,26,29).
What are the key properties of N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 60621740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).