N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide

C16H21N3O2 — CID 166176518

IUPACN-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
SMILESCC1CN(C(=O)C2(NC(=O)c3ccccc3)CC2)CCN1
InChIInChI=1S/C16H21N3O2/c1-12-11-19(10-9-17-12)15(21)16(7-8-16)18-14(20)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,18,20)
InChIKeyFHUHHEMJKVNUSQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.77
Rot. Bonds3

About N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide

N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide (PubChem CID 166176518) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
PubChem CID166176518
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
SMILESCC1CN(C(=O)C2(NC(=O)c3ccccc3)CC2)CCN1
InChIInChI=1S/C16H21N3O2/c1-12-11-19(10-9-17-12)15(21)16(7-8-16)18-14(20)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,18,20)
InChIKeyFHUHHEMJKVNUSQ-UHFFFAOYSA-N
XLogP0.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The IUPAC name of N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide (CID 166176518) is N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide.
What is the SMILES notation for N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The canonical SMILES for N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide is CC1CN(C(=O)C2(NC(=O)c3ccccc3)CC2)CCN1.
What is the InChIKey of N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The InChIKey is FHUHHEMJKVNUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-11-19(10-9-17-12)15(21)16(7-8-16)18-14(20)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide?
N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide is sourced from PubChem (CID 166176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).