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

C13H17ClN4O2 — CID 108566868

IUPAC3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCCl)NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C13H17ClN4O2/c14-4-1-12(19)17-10-2-7-18(8-3-10)13(20)11-9-15-5-6-16-11/h5-6,9-10H,1-4,7-8H2,(H,17,19)
InChIKeyVCPLCYJNKJVHPC-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.83
Rot. Bonds4

About 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide

3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 108566868) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID108566868
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCCl)NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C13H17ClN4O2/c14-4-1-12(19)17-10-2-7-18(8-3-10)13(20)11-9-15-5-6-16-11/h5-6,9-10H,1-4,7-8H2,(H,17,19)
InChIKeyVCPLCYJNKJVHPC-UHFFFAOYSA-N
XLogP0.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
2-(3-fluorophenyl)-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]acetamide
CID 110821285
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
4-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pentanamide
CID 108558110
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide (CID 108566868) is 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide is O=C(CCCl)NC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is VCPLCYJNKJVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-4-1-12(19)17-10-2-7-18(8-3-10)13(20)11-9-15-5-6-16-11/h5-6,9-10H,1-4,7-8H2,(H,17,19).
What are the key properties of 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 296.76 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).