(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide

C21H36N4O — CID 97110124

IUPAC(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
SMILESCCN1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)(N(C)C)CC1
InChIInChI=1S/C21H36N4O/c1-7-25-14-12-21(13-15-25,24(5)6)16-22-20(26)19(23(3)4)18-10-8-17(2)9-11-18/h8-11,19H,7,12-16H2,1-6H3,(H,22,26)/t19-/m0/s1
InChIKeyQWVRLPWCUVTDRC-IBGZPJMESA-N
MW360.55 g/mol
LogP2.13
Rot. Bonds7

About (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide

(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 97110124) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID97110124
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
SMILESCCN1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)(N(C)C)CC1
InChIInChI=1S/C21H36N4O/c1-7-25-14-12-21(13-15-25,24(5)6)16-22-20(26)19(23(3)4)18-10-8-17(2)9-11-18/h8-11,19H,7,12-16H2,1-6H3,(H,22,26)/t19-/m0/s1
InChIKeyQWVRLPWCUVTDRC-IBGZPJMESA-N
XLogP2.13
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 72845654
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 97192526
(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 97130982
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
(2R)-2-(dimethylamino)-N-[(2-hydroxy-2-adamantyl)methyl]-2-(4-methylphenyl)acetamide
CID 97153061
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551
2-[4-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-ethyl-1,4,7-triazonan-1-yl]acetic acid
CID 158695434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide (CID 97110124) is (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide is CCN1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)(N(C)C)CC1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is QWVRLPWCUVTDRC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H36N4O/c1-7-25-14-12-21(13-15-25,24(5)6)16-22-20(26)19(23(3)4)18-10-8-17(2)9-11-18/h8-11,19H,7,12-16H2,1-6H3,(H,22,26)/t19-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide?
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 360.55 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 97110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).