N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide

C14H19ClN4O2 — CID 108562614

IUPACN-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1cnccn1
InChIInChI=1S/C14H19ClN4O2/c15-5-1-2-13(20)19-8-3-11(4-9-19)18-14(21)12-10-16-6-7-17-12/h6-7,10-11H,1-5,8-9H2,(H,18,21)
InChIKeyZXWMGXSOEWEORB-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108562614) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108562614
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1cnccn1
InChIInChI=1S/C14H19ClN4O2/c15-5-1-2-13(20)19-8-3-11(4-9-19)18-14(21)12-10-16-6-7-17-12/h6-7,10-11H,1-5,8-9H2,(H,18,21)
InChIKeyZXWMGXSOEWEORB-UHFFFAOYSA-N
XLogP1.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.22
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

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557401
N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide
CID 110248463
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
4-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558979
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 108562614) is N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)CCCCl)CC1)c1cnccn1.
What is the InChIKey of N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is ZXWMGXSOEWEORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-5-1-2-13(20)19-8-3-11(4-9-19)18-14(21)12-10-16-6-7-17-12/h6-7,10-11H,1-5,8-9H2,(H,18,21).
What are the key properties of N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108562614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).