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

C22H27N3O3 — CID 108557848

IUPACN-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)28-16-4-6-21(26)25-14-11-18(12-15-25)24-22(27)20-5-2-3-13-23-20/h2-3,5,7-10,13,18H,4,6,11-12,14-16H2,1H3,(H,24,27)
InChIKeyMJVDSAUSKFTBMD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.97
Rot. Bonds7

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

N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108557848) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108557848
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)28-16-4-6-21(26)25-14-11-18(12-15-25)24-22(27)20-5-2-3-13-23-20/h2-3,5,7-10,13,18H,4,6,11-12,14-16H2,1H3,(H,24,27)
InChIKeyMJVDSAUSKFTBMD-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.97
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]pyridine-2-carboxamide
CID 49488608
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide (CID 108557848) is N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide is Cc1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is MJVDSAUSKFTBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)28-16-4-6-21(26)25-14-11-18(12-15-25)24-22(27)20-5-2-3-13-23-20/h2-3,5,7-10,13,18H,4,6,11-12,14-16H2,1H3,(H,24,27).
What are the key properties of N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108557848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).