N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide

C22H27ClN2O2 — CID 46429379

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-17(27-16-19-5-3-2-4-6-19)22(26)24-21-11-13-25(14-12-21)15-18-7-9-20(23)10-8-18/h2-10,17,21H,11-16H2,1H3,(H,24,26)
InChIKeyPYLRYBSWSJVNJA-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.03
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide (PubChem CID 46429379) 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]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
PubChem CID46429379
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-17(27-16-19-5-3-2-4-6-19)22(26)24-21-11-13-25(14-12-21)15-18-7-9-20(23)10-8-18/h2-10,17,21H,11-16H2,1H3,(H,24,26)
InChIKeyPYLRYBSWSJVNJA-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 91433559
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 55629625

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide (CID 46429379) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide?
The InChIKey is PYLRYBSWSJVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-17(27-16-19-5-3-2-4-6-19)22(26)24-21-11-13-25(14-12-21)15-18-7-9-20(23)10-8-18/h2-10,17,21H,11-16H2,1H3,(H,24,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide has a molecular weight of 386.92 g/mol, XLogP of 4.03, 7 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]-2-phenylmethoxypropanamide is sourced from PubChem (CID 46429379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).