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

C19H27N3O3 — CID 108970253

IUPAC1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C19H27N3O3/c1-3-10-20-17(23)19(8-9-19)18(24)22-13-11-21(12-14-22)15-6-4-5-7-16(15)25-2/h4-7H,3,8-14H2,1-2H3,(H,20,23)
InChIKeyZYDIPCSYGXBFPF-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.65
Rot. Bonds6

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

1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 108970253) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
PubChem CID108970253
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C19H27N3O3/c1-3-10-20-17(23)19(8-9-19)18(24)22-13-11-21(12-14-22)15-6-4-5-7-16(15)25-2/h4-7H,3,8-14H2,1-2H3,(H,20,23)
InChIKeyZYDIPCSYGXBFPF-UHFFFAOYSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970254
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
CID 4637829
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide (CID 108970253) is 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1(C(=O)N2CCN(c3ccccc3OC)CC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is ZYDIPCSYGXBFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-10-20-17(23)19(8-9-19)18(24)22-13-11-21(12-14-22)15-6-4-5-7-16(15)25-2/h4-7H,3,8-14H2,1-2H3,(H,20,23).
What are the key properties of 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).