N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide

C23H38N4O — CID 124880513

IUPACN-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CCCCN2C(C)C)CC1
InChIInChI=1S/C23H38N4O/c1-4-20-9-5-6-11-22(20)24-23(28)18-26-15-13-25(14-16-26)17-21-10-7-8-12-27(21)19(2)3/h5-6,9,11,19,21H,4,7-8,10,12-18H2,1-3H3,(H,24,28)/t21-/m0/s1
InChIKeySFXNPYFXWWQYAL-NRFANRHFSA-N
MW386.58 g/mol
LogP3.07
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 124880513) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID124880513
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC NameN-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CCCCN2C(C)C)CC1
InChIInChI=1S/C23H38N4O/c1-4-20-9-5-6-11-22(20)24-23(28)18-26-15-13-25(14-16-26)17-21-10-7-8-12-27(21)19(2)3/h5-6,9,11,19,21H,4,7-8,10,12-18H2,1-3H3,(H,24,28)/t21-/m0/s1
InChIKeySFXNPYFXWWQYAL-NRFANRHFSA-N
XLogP3.07
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30622887
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 11943830
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
2-[4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795277
N-(2-ethylphenyl)-2-[4-[2-[(2-methylcyclohexyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112796606
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide (CID 124880513) is N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CCCCN2C(C)C)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is SFXNPYFXWWQYAL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H38N4O/c1-4-20-9-5-6-11-22(20)24-23(28)18-26-15-13-25(14-16-26)17-21-10-7-8-12-27(21)19(2)3/h5-6,9,11,19,21H,4,7-8,10,12-18H2,1-3H3,(H,24,28)/t21-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 386.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 124880513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).