N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide

C16H24N4O2 — CID 127165661

IUPACN-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCCCCNC(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-3-8-18-16(22)20-11-6-14(7-12-20)19-15(21)13-4-9-17-10-5-13/h4-5,9-10,14H,2-3,6-8,11-12H2,1H3,(H,18,22)(H,19,21)
InChIKeyOBOZEPIEKRTSMP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.79
Rot. Bonds5

About N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 127165661) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID127165661
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCCCCNC(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-3-8-18-16(22)20-11-6-14(7-12-20)19-15(21)13-4-9-17-10-5-13/h4-5,9-10,14H,2-3,6-8,11-12H2,1H3,(H,18,22)(H,19,21)
InChIKeyOBOZEPIEKRTSMP-UHFFFAOYSA-N
XLogP1.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
CID 110821964
N-butylpyridine-4-carboxamide
CID 5030535
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126822230

Frequently Asked Questions

What is the IUPAC name of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide (CID 127165661) is N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide is CCCCNC(=O)N1CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is OBOZEPIEKRTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-3-8-18-16(22)20-11-6-14(7-12-20)19-15(21)13-4-9-17-10-5-13/h4-5,9-10,14H,2-3,6-8,11-12H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 127165661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).