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

C20H30N4O2 — CID 18093895

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCC1CC(C)CN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N4O2/c1-16-12-17(2)14-22(13-16)15-19(25)23-8-10-24(11-9-23)20(26)21-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,21,26)
InChIKeyFMOVPKGIBKALBU-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.34
Rot. Bonds3

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

4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 18093895) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID18093895
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCC1CC(C)CN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N4O2/c1-16-12-17(2)14-22(13-16)15-19(25)23-8-10-24(11-9-23)20(26)21-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,21,26)
InChIKeyFMOVPKGIBKALBU-UHFFFAOYSA-N
XLogP2.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25437306
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
N-(2-chlorophenyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 51250491
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094213
cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 27213504
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide (CID 18093895) is 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide is CC1CC(C)CN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is FMOVPKGIBKALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-12-17(2)14-22(13-16)15-19(25)23-8-10-24(11-9-23)20(26)21-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,21,26).
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 18093895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).