1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide

C21H31N3O2 — CID 51284859

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCC1CC(C)CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O2/c1-16-12-17(2)14-23(13-16)15-20(25)24-10-8-18(9-11-24)21(26)22-19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,22,26)
InChIKeyMXTWSFWHZXEXDF-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 51284859) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID51284859
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCC1CC(C)CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O2/c1-16-12-17(2)14-23(13-16)15-20(25)24-10-8-18(9-11-24)21(26)22-19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,22,26)
InChIKeyMXTWSFWHZXEXDF-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18131445
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 94420345
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121783

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 51284859) is 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide is CC1CC(C)CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MXTWSFWHZXEXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-12-17(2)14-23(13-16)15-20(25)24-10-8-18(9-11-24)21(26)22-19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,22,26).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 51284859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).