2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C27H35N3O3 — CID 110268457

IUPAC2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C3CCCCN(Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C27H35N3O3/c1-33-24-12-10-23(11-13-24)28-26(31)20-29-17-14-22(15-18-29)25-9-5-6-16-30(27(25)32)19-21-7-3-2-4-8-21/h2-4,7-8,10-13,22,25H,5-6,9,14-20H2,1H3,(H,28,31)
InChIKeySUFDGHHWJYEHCO-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.17
Rot. Bonds7

About 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 110268457) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID110268457
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C3CCCCN(Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C27H35N3O3/c1-33-24-12-10-23(11-13-24)28-26(31)20-29-17-14-22(15-18-29)25-9-5-6-16-30(27(25)32)19-21-7-3-2-4-8-21/h2-4,7-8,10-13,22,25H,5-6,9,14-20H2,1H3,(H,28,31)
InChIKeySUFDGHHWJYEHCO-UHFFFAOYSA-N
XLogP4.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
CID 92631303
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
1-benzyl-3-piperidin-4-ylazepan-2-one
CID 110252435
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 110268457) is 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(C3CCCCN(Cc4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is SUFDGHHWJYEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-33-24-12-10-23(11-13-24)28-26(31)20-29-17-14-22(15-18-29)25-9-5-6-16-30(27(25)32)19-21-7-3-2-4-8-21/h2-4,7-8,10-13,22,25H,5-6,9,14-20H2,1H3,(H,28,31).
What are the key properties of 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 449.60 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110268457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).