N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

C22H27ClN2O2 — CID 23723888

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-27-20-10-8-17(9-11-20)13-22(26)24-14-18-5-4-12-25(15-18)16-19-6-2-3-7-21(19)23/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,24,26)
InChIKeyIFYUDVYDAUZTKX-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.92
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 23723888) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID23723888
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-27-20-10-8-17(9-11-20)13-22(26)24-14-18-5-4-12-25(15-18)16-19-6-2-3-7-21(19)23/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,24,26)
InChIKeyIFYUDVYDAUZTKX-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
AC-90179
CID 9799308
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
Cambridge id 7035693
CID 1075488
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
4-chloro-N-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]benzamide
CID 4827357
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 7688715
4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2093192
N-(1-Benzyl-4-piperidinyl)-2-(4-methoxyphenyl)acetamide
CID 3296345
N,N-Diethyl-4-[(4-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10833535
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide
CID 11567714
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 15983558

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 23723888) is N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is IFYUDVYDAUZTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-27-20-10-8-17(9-11-20)13-22(26)24-14-18-5-4-12-25(15-18)16-19-6-2-3-7-21(19)23/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,24,26).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 386.92 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23723888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).