4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide

C21H26N4O2 — CID 109078255

IUPAC4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C21H26N4O2/c1-16(2)23-20(26)19-14-18(8-9-22-19)21(27)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyBDHINADPSNVQCC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.18
Rot. Bonds5

About 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide

4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109078255) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109078255
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C21H26N4O2/c1-16(2)23-20(26)19-14-18(8-9-22-19)21(27)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyBDHINADPSNVQCC-UHFFFAOYSA-N
XLogP2.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109080186

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide (CID 109078255) is 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is BDHINADPSNVQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(2)23-20(26)19-14-18(8-9-22-19)21(27)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109078255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).