2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide

C21H35N3O — CID 112539569

IUPAC2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(c1ccc(CC)cc1)N1CCNCC1C
InChIInChI=1S/C21H35N3O/c1-5-13-23(14-6-2)21(25)20(24-15-12-22-16-17(24)4)19-10-8-18(7-3)9-11-19/h8-11,17,20,22H,5-7,12-16H2,1-4H3
InChIKeyOTEVRNVYNFUSTG-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.23
Rot. Bonds8

About 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide

2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide (PubChem CID 112539569) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
PubChem CID112539569
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(c1ccc(CC)cc1)N1CCNCC1C
InChIInChI=1S/C21H35N3O/c1-5-13-23(14-6-2)21(25)20(24-15-12-22-16-17(24)4)19-10-8-18(7-3)9-11-19/h8-11,17,20,22H,5-7,12-16H2,1-4H3
InChIKeyOTEVRNVYNFUSTG-UHFFFAOYSA-N
XLogP3.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978474
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)acetic acid
CID 83978214
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 83979929
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide (CID 112539569) is 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(c1ccc(CC)cc1)N1CCNCC1C.
What is the InChIKey of 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
The InChIKey is OTEVRNVYNFUSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-5-13-23(14-6-2)21(25)20(24-15-12-22-16-17(24)4)19-10-8-18(7-3)9-11-19/h8-11,17,20,22H,5-7,12-16H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide?
2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide has a molecular weight of 345.53 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 112539569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).