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

C21H24ClN3O3 — CID 49488608

IUPACN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1ccccn1
InChIInChI=1S/C21H24ClN3O3/c22-17-6-1-2-8-19(17)28-15-5-9-20(26)25-13-10-16(11-14-25)24-21(27)18-7-3-4-12-23-18/h1-4,6-8,12,16H,5,9-11,13-15H2,(H,24,27)
InChIKeyGPKWXVPXCWEKPD-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.32
Rot. Bonds7

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

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 49488608) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID49488608
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1ccccn1
InChIInChI=1S/C21H24ClN3O3/c22-17-6-1-2-8-19(17)28-15-5-9-20(26)25-13-10-16(11-14-25)24-21(27)18-7-3-4-12-23-18/h1-4,6-8,12,16H,5,9-11,13-15H2,(H,24,27)
InChIKeyGPKWXVPXCWEKPD-UHFFFAOYSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]pyrazine-2-carboxamide
CID 108557401
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555027
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
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
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
4-(2-chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 49316833
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide (CID 49488608) is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1ccccn1.
What is the InChIKey of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is GPKWXVPXCWEKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-17-6-1-2-8-19(17)28-15-5-9-20(26)25-13-10-16(11-14-25)24-21(27)18-7-3-4-12-23-18/h1-4,6-8,12,16H,5,9-11,13-15H2,(H,24,27).
What are the key properties of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 401.89 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 49488608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).