N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C25H27ClN4O2 — CID 55470928

IUPACN-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N2CCN(Cc3ccccn3)CC2)cc1Cl
InChIInChI=1S/C25H27ClN4O2/c1-32-23-11-10-20(17-22(23)26)28-25(31)24(19-7-3-2-4-8-19)30-15-13-29(14-16-30)18-21-9-5-6-12-27-21/h2-12,17,24H,13-16,18H2,1H3,(H,28,31)
InChIKeyGUOVYZDHMLNIQV-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.24
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 55470928) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID55470928
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N2CCN(Cc3ccccn3)CC2)cc1Cl
InChIInChI=1S/C25H27ClN4O2/c1-32-23-11-10-20(17-22(23)26)28-25(31)24(19-7-3-2-4-8-19)30-15-13-29(14-16-30)18-21-9-5-6-12-27-21/h2-12,17,24H,13-16,18H2,1H3,(H,28,31)
InChIKeyGUOVYZDHMLNIQV-UHFFFAOYSA-N
XLogP4.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470848
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 30621176
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 78899528
N-(3-chloro-4-methoxyphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 42912246
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylacetamide
CID 2448741
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
CID 51927903
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 55470928) is N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)C(c2ccccc2)N2CCN(Cc3ccccn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is GUOVYZDHMLNIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-32-23-11-10-20(17-22(23)26)28-25(31)24(19-7-3-2-4-8-19)30-15-13-29(14-16-30)18-21-9-5-6-12-27-21/h2-12,17,24H,13-16,18H2,1H3,(H,28,31).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 450.97 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55470928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).