2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide

C19H26N4O3 — CID 109081367

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cc(C(=O)NC3CCCCC3)ccn2)CC1
InChIInChI=1S/C19H26N4O3/c1-14(24)22-9-11-23(12-10-22)19(26)17-13-15(7-8-20-17)18(25)21-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12H2,1H3,(H,21,25)
InChIKeyHSDFHTSFPDPBMG-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide (PubChem CID 109081367) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
PubChem CID109081367
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cc(C(=O)NC3CCCCC3)ccn2)CC1
InChIInChI=1S/C19H26N4O3/c1-14(24)22-9-11-23(12-10-22)19(26)17-13-15(7-8-20-17)18(25)21-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12H2,1H3,(H,21,25)
InChIKeyHSDFHTSFPDPBMG-UHFFFAOYSA-N
XLogP1.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081834
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide (CID 109081367) is 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide is CC(=O)N1CCN(C(=O)c2cc(C(=O)NC3CCCCC3)ccn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide?
The InChIKey is HSDFHTSFPDPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(24)22-9-11-23(12-10-22)19(26)17-13-15(7-8-20-17)18(25)21-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12H2,1H3,(H,21,25).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide is sourced from PubChem (CID 109081367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).