N-(4-bromophenyl)-3-piperidin-1-ylpropanamide

C14H19BrN2O — CID 772963

IUPACN-(4-bromophenyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c15-12-4-6-13(7-5-12)16-14(18)8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)
InChIKeyQEAJTIGPXHWSEY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.26
Rot. Bonds4

About N-(4-bromophenyl)-3-piperidin-1-ylpropanamide

N-(4-bromophenyl)-3-piperidin-1-ylpropanamide (PubChem CID 772963) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-piperidin-1-ylpropanamide
PubChem CID772963
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromophenyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c15-12-4-6-13(7-5-12)16-14(18)8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)
InChIKeyQEAJTIGPXHWSEY-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-piperidin-1-ylpropanamide (CID 772963) is N-(4-bromophenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is QEAJTIGPXHWSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-4-6-13(7-5-12)16-14(18)8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18).
What are the key properties of N-(4-bromophenyl)-3-piperidin-1-ylpropanamide?
N-(4-bromophenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 772963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).