N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide

C24H31ClN2O2 — CID 91198671

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CCCCN2C(C)C)cc1
InChIInChI=1S/C24H31ClN2O2/c1-18(2)26-15-5-4-6-23(26)27(17-20-7-11-21(25)12-8-20)24(28)16-19-9-13-22(29-3)14-10-19/h7-14,18,23H,4-6,15-17H2,1-3H3
InChIKeyYKQMLOAMBDASLR-UHFFFAOYSA-N
MW414.98 g/mol
LogP5.14
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide (PubChem CID 91198671) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide
PubChem CID91198671
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CCCCN2C(C)C)cc1
InChIInChI=1S/C24H31ClN2O2/c1-18(2)26-15-5-4-6-23(26)27(17-20-7-11-21(25)12-8-20)24(28)16-19-9-13-22(29-3)14-10-19/h7-14,18,23H,4-6,15-17H2,1-3H3
InChIKeyYKQMLOAMBDASLR-UHFFFAOYSA-N
XLogP5.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-2-yl)acetamide
CID 91318413
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 23512961
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 122169746
ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
CID 23339060
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9299632
2-[(4-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-cyclohexylpropanamide
CID 132617907
N-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 23512959
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide (CID 91198671) is N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide is COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CCCCN2C(C)C)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide?
The InChIKey is YKQMLOAMBDASLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-18(2)26-15-5-4-6-23(26)27(17-20-7-11-21(25)12-8-20)24(28)16-19-9-13-22(29-3)14-10-19/h7-14,18,23H,4-6,15-17H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide has a molecular weight of 414.98 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide is sourced from PubChem (CID 91198671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).