N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C26H33N3O2 — CID 56505309

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)C(c3ccccc3)N3CCCCC3=O)CC2)c1
InChIInChI=1S/C26H33N3O2/c1-20-8-7-9-21(18-20)19-28-16-13-23(14-17-28)27-26(31)25(22-10-3-2-4-11-22)29-15-6-5-12-24(29)30/h2-4,7-11,18,23,25H,5-6,12-17,19H2,1H3,(H,27,31)
InChIKeyARMLEISHQGTSFZ-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.83
Rot. Bonds6

About N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505309) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505309
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)C(c3ccccc3)N3CCCCC3=O)CC2)c1
InChIInChI=1S/C26H33N3O2/c1-20-8-7-9-21(18-20)19-28-16-13-23(14-17-28)27-26(31)25(22-10-3-2-4-11-22)29-15-6-5-12-24(29)30/h2-4,7-11,18,23,25H,5-6,12-17,19H2,1H3,(H,27,31)
InChIKeyARMLEISHQGTSFZ-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 56505437
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-(4-aminocyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119476626
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506504
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505171
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
1-(benzenesulfonyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55735445
2-[(2-chlorophenyl)methoxy]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 47057697

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505309) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is Cc1cccc(CN2CCC(NC(=O)C(c3ccccc3)N3CCCCC3=O)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is ARMLEISHQGTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-20-8-7-9-21(18-20)19-28-16-13-23(14-17-28)27-26(31)25(22-10-3-2-4-11-22)29-15-6-5-12-24(29)30/h2-4,7-11,18,23,25H,5-6,12-17,19H2,1H3,(H,27,31).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 419.57 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).