2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide

C21H28N4O — CID 99991788

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-3-24-12-14-25(15-13-24)16-20(26)23-21(19-8-10-22-11-9-19)18-6-4-17(2)5-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeySROXCNWVFXHXRH-NRFANRHFSA-N
MW352.48 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 99991788) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID99991788
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-3-24-12-14-25(15-13-24)16-20(26)23-21(19-8-10-22-11-9-19)18-6-4-17(2)5-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeySROXCNWVFXHXRH-NRFANRHFSA-N
XLogP2.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18088811
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 131896793
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 95209344
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
2-[4-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-ethyl-1,4,7-triazonan-1-yl]acetic acid
CID 158695434
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 111123159

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide (CID 99991788) is 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide is CCN1CCN(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is SROXCNWVFXHXRH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-24-12-14-25(15-13-24)16-20(26)23-21(19-8-10-22-11-9-19)18-6-4-17(2)5-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 99991788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).