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

C17H19BrN4O — CID 175650109

IUPACN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccncn1
InChIInChI=1S/C17H19BrN4O/c18-14-3-1-2-13(10-14)11-22-8-5-15(6-9-22)21-17(23)16-4-7-19-12-20-16/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,21,23)
InChIKeyFZQZUJUVBFJDJO-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.63
Rot. Bonds4

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

N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 175650109) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID175650109
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccncn1
InChIInChI=1S/C17H19BrN4O/c18-14-3-1-2-13(10-14)11-22-8-5-15(6-9-22)21-17(23)16-4-7-19-12-20-16/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,21,23)
InChIKeyFZQZUJUVBFJDJO-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649289
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
CID 66710236
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 172933805
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide (CID 175650109) is N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide is O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccncn1.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is FZQZUJUVBFJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-14-3-1-2-13(10-14)11-22-8-5-15(6-9-22)21-17(23)16-4-7-19-12-20-16/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,21,23).
What are the key properties of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175650109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).