4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide

C19H27N3O2 — CID 59454518

IUPAC4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide
SMILESCC(C)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(N)=O)cc2)[C@H](C)C1
InChIInChI=1S/C19H27N3O2/c1-12(2)21-8-9-22(13(3)11-21)19(24)17-10-16(17)14-4-6-15(7-5-14)18(20)23/h4-7,12-13,16-17H,8-11H2,1-3H3,(H2,20,23)/t13-,16-,17+/m1/s1
InChIKeyILUDFHXSGNZVTQ-XYPHTWIQSA-N
MW329.44 g/mol
LogP1.83
Rot. Bonds4

About 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide

4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide (PubChem CID 59454518) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide
PubChem CID59454518
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide
SMILESCC(C)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(N)=O)cc2)[C@H](C)C1
InChIInChI=1S/C19H27N3O2/c1-12(2)21-8-9-22(13(3)11-21)19(24)17-10-16(17)14-4-6-15(7-5-14)18(20)23/h4-7,12-13,16-17H,8-11H2,1-3H3,(H2,20,23)/t13-,16-,17+/m1/s1
InChIKeyILUDFHXSGNZVTQ-XYPHTWIQSA-N
XLogP1.83
TPSA66.64 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 ≤ 51.83
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-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The IUPAC name of 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide (CID 59454518) is 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide.
What is the SMILES notation for 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The canonical SMILES for 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide is CC(C)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(N)=O)cc2)[C@H](C)C1.
What is the InChIKey of 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The InChIKey is ILUDFHXSGNZVTQ-XYPHTWIQSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)21-8-9-22(13(3)11-21)19(24)17-10-16(17)14-4-6-15(7-5-14)18(20)23/h4-7,12-13,16-17H,8-11H2,1-3H3,(H2,20,23)/t13-,16-,17+/m1/s1.
What are the key properties of 4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide?
4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 1.83, 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-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide is sourced from PubChem (CID 59454518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).