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

C20H29N3O2 — CID 108970254

IUPAC1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-4-10-21-18(24)20(8-9-20)19(25)23-13-11-22(12-14-23)17-7-5-6-15(2)16(17)3/h5-7H,4,8-14H2,1-3H3,(H,21,24)
InChIKeyKMVUPAUSWOIJHF-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.26
Rot. Bonds5

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

1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 108970254) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
PubChem CID108970254
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-4-10-21-18(24)20(8-9-20)19(25)23-13-11-22(12-14-23)17-7-5-6-15(2)16(17)3/h5-7H,4,8-14H2,1-3H3,(H,21,24)
InChIKeyKMVUPAUSWOIJHF-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-propylcyclopropane-1-carboxamide
CID 108970253
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978811
azepan-1-yl-[1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 108978812
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108978820
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(pentylamino)ethanone
CID 109004221
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 2511652
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974926
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 109011710

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide (CID 108970254) is 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is KMVUPAUSWOIJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-10-21-18(24)20(8-9-20)19(25)23-13-11-22(12-14-23)17-7-5-6-15(2)16(17)3/h5-7H,4,8-14H2,1-3H3,(H,21,24).
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 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-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).