2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide

C17H17ClN4O2 — CID 110821271

IUPAC2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN4O2/c18-14-4-2-1-3-13(14)16(23)21-12-5-9-22(10-6-12)17(24)15-11-19-7-8-20-15/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,23)
InChIKeyGWCWZKZQQUSDPT-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide

2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 110821271) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID110821271
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN4O2/c18-14-4-2-1-3-13(14)16(23)21-12-5-9-22(10-6-12)17(24)15-11-19-7-8-20-15/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,23)
InChIKeyGWCWZKZQQUSDPT-UHFFFAOYSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide (CID 110821271) is 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is GWCWZKZQQUSDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-14-4-2-1-3-13(14)16(23)21-12-5-9-22(10-6-12)17(24)15-11-19-7-8-20-15/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,23).
What are the key properties of 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 344.80 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110821271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).