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

C20H23ClN4O3 — CID 108557401

IUPACN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1cnccn1
InChIInChI=1S/C20H23ClN4O3/c21-16-4-1-2-5-18(16)28-13-3-6-19(26)25-11-7-15(8-12-25)24-20(27)17-14-22-9-10-23-17/h1-2,4-5,9-10,14-15H,3,6-8,11-13H2,(H,24,27)
InChIKeyBULYVFDMXFGYRP-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.71
Rot. Bonds7

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

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557401) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557401
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1cnccn1
InChIInChI=1S/C20H23ClN4O3/c21-16-4-1-2-5-18(16)28-13-3-6-19(26)25-11-7-15(8-12-25)24-20(27)17-14-22-9-10-23-17/h1-2,4-5,9-10,14-15H,3,6-8,11-13H2,(H,24,27)
InChIKeyBULYVFDMXFGYRP-UHFFFAOYSA-N
XLogP2.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 49488608
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555027
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565468
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 108557401) is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1cnccn1.
What is the InChIKey of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is BULYVFDMXFGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c21-16-4-1-2-5-18(16)28-13-3-6-19(26)25-11-7-15(8-12-25)24-20(27)17-14-22-9-10-23-17/h1-2,4-5,9-10,14-15H,3,6-8,11-13H2,(H,24,27).
What are the key properties of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).