N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide

C20H26N4O2 — CID 46448196

IUPACN-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-14(19(25)21-15-7-8-15)23-9-11-24(12-10-23)20(26)17-13-22(2)18-6-4-3-5-16(17)18/h3-6,13-15H,7-12H2,1-2H3,(H,21,25)
InChIKeyZZKMZRDMNPHXRR-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.60
Rot. Bonds4

About N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 46448196) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID46448196
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-14(19(25)21-15-7-8-15)23-9-11-24(12-10-23)20(26)17-13-22(2)18-6-4-3-5-16(17)18/h3-6,13-15H,7-12H2,1-2H3,(H,21,25)
InChIKeyZZKMZRDMNPHXRR-UHFFFAOYSA-N
XLogP1.60
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
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2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
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(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
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2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
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4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
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N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
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(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
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CID 9209194

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide (CID 46448196) is N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is ZZKMZRDMNPHXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(19(25)21-15-7-8-15)23-9-11-24(12-10-23)20(26)17-13-22(2)18-6-4-3-5-16(17)18/h3-6,13-15H,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46448196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).