N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide

C17H24N4O3 — CID 138994284

IUPACN-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C17H24N4O3/c22-15-10-13(11-18-12-15)16(23)20-6-8-21(9-7-20)17(24)19-14-4-2-1-3-5-14/h10-12,14,22H,1-9H2,(H,19,24)
InChIKeyMSFJUMSJIOLSMS-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.59
Rot. Bonds2

About N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide

N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 138994284) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide
PubChem CID138994284
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C17H24N4O3/c22-15-10-13(11-18-12-15)16(23)20-6-8-21(9-7-20)17(24)19-14-4-2-1-3-5-14/h10-12,14,22H,1-9H2,(H,19,24)
InChIKeyMSFJUMSJIOLSMS-UHFFFAOYSA-N
XLogP1.59
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
CID 109102737
N-cyclohexyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102478
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
N-cyclohexyl-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102999
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230117
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide (CID 138994284) is N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is MSFJUMSJIOLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-15-10-13(11-18-12-15)16(23)20-6-8-21(9-7-20)17(24)19-14-4-2-1-3-5-14/h10-12,14,22H,1-9H2,(H,19,24).
What are the key properties of N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 138994284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).