N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

C14H17ClN4O2 — CID 107248671

IUPACN-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cnc(Cl)cn2)CC1)C1CC1
InChIInChI=1S/C14H17ClN4O2/c15-12-8-16-11(7-17-12)14(21)19-5-3-10(4-6-19)18-13(20)9-1-2-9/h7-10H,1-6H2,(H,18,20)
InChIKeyCGGATLMGBFUQAX-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.26
Rot. Bonds3

About N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 107248671) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID107248671
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC NameN-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cnc(Cl)cn2)CC1)C1CC1
InChIInChI=1S/C14H17ClN4O2/c15-12-8-16-11(7-17-12)14(21)19-5-3-10(4-6-19)18-13(20)9-1-2-9/h7-10H,1-6H2,(H,18,20)
InChIKeyCGGATLMGBFUQAX-UHFFFAOYSA-N
XLogP1.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 107257835
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 107257834
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (CID 107248671) is N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cnc(Cl)cn2)CC1)C1CC1.
What is the InChIKey of N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is CGGATLMGBFUQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-12-8-16-11(7-17-12)14(21)19-5-3-10(4-6-19)18-13(20)9-1-2-9/h7-10H,1-6H2,(H,18,20).
What are the key properties of N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 107248671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).