N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

C18H27N3O — CID 34207696

IUPACN-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC3CC3)CC2)c1C
InChIInChI=1S/C18H27N3O/c1-14-4-3-5-17(15(14)2)21-12-10-20(11-13-21)9-8-18(22)19-16-6-7-16/h3-5,16H,6-13H2,1-2H3,(H,19,22)
InChIKeyIZKPLMKMZCVWII-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.09
Rot. Bonds5

About N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 34207696) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID34207696
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC3CC3)CC2)c1C
InChIInChI=1S/C18H27N3O/c1-14-4-3-5-17(15(14)2)21-12-10-20(11-13-21)9-8-18(22)19-16-6-7-16/h3-5,16H,6-13H2,1-2H3,(H,19,22)
InChIKeyIZKPLMKMZCVWII-UHFFFAOYSA-N
XLogP2.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
N-cyclopropyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 51103973
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582805
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025241
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (CID 34207696) is N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)NC3CC3)CC2)c1C.
What is the InChIKey of N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is IZKPLMKMZCVWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-4-3-5-17(15(14)2)21-12-10-20(11-13-21)9-8-18(22)19-16-6-7-16/h3-5,16H,6-13H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 34207696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).