N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide

C22H27ClN2O2 — CID 24504189

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c23-19-10-8-18(9-11-19)17-25-14-12-20(13-15-25)24-22(26)7-4-16-27-21-5-2-1-3-6-21/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26)
InChIKeyMDGVLKSCUPFMPA-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.28
Rot. Bonds8

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide (PubChem CID 24504189) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
PubChem CID24504189
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c23-19-10-8-18(9-11-19)17-25-14-12-20(13-15-25)24-22(26)7-4-16-27-21-5-2-1-3-6-21/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26)
InChIKeyMDGVLKSCUPFMPA-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 17176588
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
6-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]naphthalene-2-carboxylic acid
CID 24745006

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide (CID 24504189) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide?
The InChIKey is MDGVLKSCUPFMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-19-10-8-18(9-11-19)17-25-14-12-20(13-15-25)24-22(26)7-4-16-27-21-5-2-1-3-6-21/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide has a molecular weight of 386.92 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide is sourced from PubChem (CID 24504189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).