N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide

C18H26BrN3O — CID 20907449

IUPACN-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C18H26BrN3O/c19-16-4-6-17(7-5-16)20-18(23)22-12-8-15(9-13-22)14-21-10-2-1-3-11-21/h4-7,15H,1-3,8-14H2,(H,20,23)
InChIKeyNFAWXLCYDQXSES-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.18
Rot. Bonds3

About N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide

N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 20907449) has the molecular formula C18H26BrN3O and a molecular weight of 380.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID20907449
Molecular FormulaC18H26BrN3O
Molecular Weight380.33 g/mol
Exact Mass379.13
IUPAC NameN-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C18H26BrN3O/c19-16-4-6-17(7-5-16)20-18(23)22-12-8-15(9-13-22)14-21-10-2-1-3-11-21/h4-7,15H,1-3,8-14H2,(H,20,23)
InChIKeyNFAWXLCYDQXSES-UHFFFAOYSA-N
XLogP4.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide (CID 20907449) is N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NFAWXLCYDQXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O/c19-16-4-6-17(7-5-16)20-18(23)22-12-8-15(9-13-22)14-21-10-2-1-3-11-21/h4-7,15H,1-3,8-14H2,(H,20,23).
What are the key properties of N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 20907449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).