4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide

C19H25N3O2 — CID 53342708

IUPAC4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide
SMILESNC(=O)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c20-18(23)14-6-4-13(5-7-14)16-12-17(16)19(24)22-10-8-21(9-11-22)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2,(H2,20,23)/t16-,17+/m1/s1
InChIKeyVCQZCDSEWSFTPO-SJORKVTESA-N
MW327.43 g/mol
LogP1.59
Rot. Bonds4

About 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide

4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide (PubChem CID 53342708) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide
PubChem CID53342708
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide
SMILESNC(=O)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c20-18(23)14-6-4-13(5-7-14)16-12-17(16)19(24)22-10-8-21(9-11-22)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2,(H2,20,23)/t16-,17+/m1/s1
InChIKeyVCQZCDSEWSFTPO-SJORKVTESA-N
XLogP1.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The IUPAC name of 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide (CID 53342708) is 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide is NC(=O)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The InChIKey is VCQZCDSEWSFTPO-SJORKVTESA-N. The full InChI is InChI=1S/C19H25N3O2/c20-18(23)14-6-4-13(5-7-14)16-12-17(16)19(24)22-10-8-21(9-11-22)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2,(H2,20,23)/t16-,17+/m1/s1.
What are the key properties of 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide?
4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide is sourced from PubChem (CID 53342708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).