1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide

C19H27N3O2 — CID 108970450

IUPAC1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)NC(C)C)CC3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-14(2)20-17(23)19(7-8-19)18(24)22-11-9-21(10-12-22)16-6-4-5-15(3)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,20,23)
InChIKeyYWHZLJZIWNKJPQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide

1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 108970450) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID108970450
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)NC(C)C)CC3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-14(2)20-17(23)19(7-8-19)18(24)22-11-9-21(10-12-22)16-6-4-5-15(3)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,20,23)
InChIKeyYWHZLJZIWNKJPQ-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.95
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

N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978759
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976949
N-(2-chlorophenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978770
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108975522
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 43034873

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide (CID 108970450) is 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3(C(=O)NC(C)C)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is YWHZLJZIWNKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)20-17(23)19(7-8-19)18(24)22-11-9-21(10-12-22)16-6-4-5-15(3)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,20,23).
What are the key properties of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide?
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).