1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

C23H35N3O2 — CID 108978811

IUPAC1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-5-12-25(13-6-2)21(27)23(10-11-23)22(28)26-16-14-24(15-17-26)20-9-7-8-18(3)19(20)4/h7-9H,5-6,10-17H2,1-4H3
InChIKeyKFWXXNRJXDPNAU-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.38
Rot. Bonds7

About 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (PubChem CID 108978811) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
PubChem CID108978811
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-5-12-25(13-6-2)21(27)23(10-11-23)22(28)26-16-14-24(15-17-26)20-9-7-8-18(3)19(20)4/h7-9H,5-6,10-17H2,1-4H3
InChIKeyKFWXXNRJXDPNAU-UHFFFAOYSA-N
XLogP3.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970254
azepan-1-yl-[1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 108978812
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978828
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114978
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108978820
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(pentylamino)ethanone
CID 109004221

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (CID 108978811) is 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is CCCN(CCC)C(=O)C1(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The InChIKey is KFWXXNRJXDPNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-5-12-25(13-6-2)21(27)23(10-11-23)22(28)26-16-14-24(15-17-26)20-9-7-8-18(3)19(20)4/h7-9H,5-6,10-17H2,1-4H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is sourced from PubChem (CID 108978811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).