2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

C26H35N3O2 — CID 131948813

IUPAC2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCN1CCC(Oc2ccc(NC(=O)CC3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-28-15-13-25(14-16-28)31-24-9-7-23(8-10-24)27-26(30)19-21-11-17-29(18-12-21)20-22-5-3-2-4-6-22/h2-10,21,25H,11-20H2,1H3,(H,27,30)
InChIKeyFWDNOBKXVHNATH-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.40
Rot. Bonds7

About 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (PubChem CID 131948813) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
PubChem CID131948813
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCN1CCC(Oc2ccc(NC(=O)CC3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-28-15-13-25(14-16-28)31-24-9-7-23(8-10-24)27-26(30)19-21-11-17-29(18-12-21)20-22-5-3-2-4-6-22/h2-10,21,25H,11-20H2,1H3,(H,27,30)
InChIKeyFWDNOBKXVHNATH-UHFFFAOYSA-N
XLogP4.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (CID 131948813) is 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is CN1CCC(Oc2ccc(NC(=O)CC3CCN(Cc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The InChIKey is FWDNOBKXVHNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-28-15-13-25(14-16-28)31-24-9-7-23(8-10-24)27-26(30)19-21-11-17-29(18-12-21)20-22-5-3-2-4-6-22/h2-10,21,25H,11-20H2,1H3,(H,27,30).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide has a molecular weight of 421.59 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 131948813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).