N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide

C28H31N3O3 — CID 73346454

IUPACN-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H31N3O3/c1-20(32)29-25-11-8-21(9-12-25)19-31-16-14-22(15-17-31)24-10-13-27(34-2)26(18-24)30-28(33)23-6-4-3-5-7-23/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyKQUVWNOILRBMSY-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.29
Rot. Bonds7

About N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide

N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide (PubChem CID 73346454) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
PubChem CID73346454
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H31N3O3/c1-20(32)29-25-11-8-21(9-12-25)19-31-16-14-22(15-17-31)24-10-13-27(34-2)26(18-24)30-28(33)23-6-4-3-5-7-23/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyKQUVWNOILRBMSY-UHFFFAOYSA-N
XLogP5.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Encainide
CID 48041
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
Encainide Hydrochloride
CID 48040
BP-897
CID 3038494
GR-103691
CID 4302960
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 2862625
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
CID 127045675
N-(2-methoxyphenyl)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]diselanyl]benzamide
CID 13673587

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
The IUPAC name of N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide (CID 73346454) is N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
The canonical SMILES for N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide is COc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
The InChIKey is KQUVWNOILRBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20(32)29-25-11-8-21(9-12-25)19-31-16-14-22(15-17-31)24-10-13-27(34-2)26(18-24)30-28(33)23-6-4-3-5-7-23/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 73346454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).