4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide

C18H28N4O2 — CID 97116910

IUPAC4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1cccc([C@@H](C(=O)N2CCN(C(=O)N(C)C)CC2)N(C)C)c1
InChIInChI=1S/C18H28N4O2/c1-14-7-6-8-15(13-14)16(19(2)3)17(23)21-9-11-22(12-10-21)18(24)20(4)5/h6-8,13,16H,9-12H2,1-5H3/t16-/m0/s1
InChIKeyAANGPKUXOZJLGO-INIZCTEOSA-N
MW332.45 g/mol
LogP1.42
Rot. Bonds3

About 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 97116910) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID97116910
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1cccc([C@@H](C(=O)N2CCN(C(=O)N(C)C)CC2)N(C)C)c1
InChIInChI=1S/C18H28N4O2/c1-14-7-6-8-15(13-14)16(19(2)3)17(23)21-9-11-22(12-10-21)18(24)20(4)5/h6-8,13,16H,9-12H2,1-5H3/t16-/m0/s1
InChIKeyAANGPKUXOZJLGO-INIZCTEOSA-N
XLogP1.42
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 72881733
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97202274
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 97125402
4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95123507
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
6-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97197313
1-butyl-4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 97123892
1-butyl-4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 72871012
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide (CID 97116910) is 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide is Cc1cccc([C@@H](C(=O)N2CCN(C(=O)N(C)C)CC2)N(C)C)c1.
What is the InChIKey of 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is AANGPKUXOZJLGO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-7-6-8-15(13-14)16(19(2)3)17(23)21-9-11-22(12-10-21)18(24)20(4)5/h6-8,13,16H,9-12H2,1-5H3/t16-/m0/s1.
What are the key properties of 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 97116910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).