2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide

C21H26N4O2 — CID 109077665

IUPAC2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-2-9-23-20(26)18-8-10-22-19(15-18)21(27)25-13-11-24(12-14-25)16-17-6-4-3-5-7-17/h3-8,10,15H,2,9,11-14,16H2,1H3,(H,23,26)
InChIKeyBFFQDFQLYLGKHW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.18
Rot. Bonds6

About 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide

2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide (PubChem CID 109077665) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
PubChem CID109077665
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-2-9-23-20(26)18-8-10-22-19(15-18)21(27)25-13-11-24(12-14-25)16-17-6-4-3-5-7-17/h3-8,10,15H,2,9,11-14,16H2,1H3,(H,23,26)
InChIKeyBFFQDFQLYLGKHW-UHFFFAOYSA-N
XLogP2.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-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

2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide (CID 109077665) is 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccnc(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide?
The InChIKey is BFFQDFQLYLGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-9-23-20(26)18-8-10-22-19(15-18)21(27)25-13-11-24(12-14-25)16-17-6-4-3-5-7-17/h3-8,10,15H,2,9,11-14,16H2,1H3,(H,23,26).
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide?
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 109077665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).