N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide

C27H28N2O3 — CID 52820081

IUPACN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H28N2O3/c1-32-25-10-6-5-9-23(25)19-26(30)29-17-15-24(16-18-29)28-27(31)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,24H,15-19H2,1H3,(H,28,31)
InChIKeyFMQBJYZNIDZPSW-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide

N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide (PubChem CID 52820081) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
PubChem CID52820081
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H28N2O3/c1-32-25-10-6-5-9-23(25)19-26(30)29-17-15-24(16-18-29)28-27(31)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,24H,15-19H2,1H3,(H,28,31)
InChIKeyFMQBJYZNIDZPSW-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56553769
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide (CID 52820081) is N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide is COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide?
The InChIKey is FMQBJYZNIDZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-25-10-6-5-9-23(25)19-26(30)29-17-15-24(16-18-29)28-27(31)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,24H,15-19H2,1H3,(H,28,31).
What are the key properties of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide?
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide has a molecular weight of 428.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide is sourced from PubChem (CID 52820081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).