1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide

C19H25N3O3 — CID 108970865

IUPAC1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-10-20-17(23)19(8-9-19)18(24)22-13-11-21(12-14-22)15-4-6-16(25-2)7-5-15/h3-7H,1,8-14H2,2H3,(H,20,23)
InChIKeyLZNWMBBKTHLOPH-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.43
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide

1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 108970865) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID108970865
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-10-20-17(23)19(8-9-19)18(24)22-13-11-21(12-14-22)15-4-6-16(25-2)7-5-15/h3-7H,1,8-14H2,2H3,(H,20,23)
InChIKeyLZNWMBBKTHLOPH-UHFFFAOYSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971255
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
CID 18588549
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979261
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 9158819
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4205495
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide (CID 108970865) is 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is LZNWMBBKTHLOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-10-20-17(23)19(8-9-19)18(24)22-13-11-21(12-14-22)15-4-6-16(25-2)7-5-15/h3-7H,1,8-14H2,2H3,(H,20,23).
What are the key properties of 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide?
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).