cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

C19H25N3O3 — CID 124834746

IUPACcis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1
InChIInChI=1S/C19H25N3O3/c1-11(2)16-18(24)20-7-8-22(16)19(25)13-5-4-6-14(10-13)21-17(23)15-9-12(15)3/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,20,24)(H,21,23)/t12-,15+,16-/m1/s1
InChIKeyDZIAXRGWMWKOMO-UHOFOFEASA-N
MW343.43 g/mol
LogP1.88
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 124834746) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
PubChem CID124834746
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namecis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1
InChIInChI=1S/C19H25N3O3/c1-11(2)16-18(24)20-7-8-22(16)19(25)13-5-4-6-14(10-13)21-17(23)15-9-12(15)3/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,20,24)(H,21,23)/t12-,15+,16-/m1/s1
InChIKeyDZIAXRGWMWKOMO-UHOFOFEASA-N
XLogP1.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 95330957
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588
6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione
CID 126423893
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46467787
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide (CID 124834746) is cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide is CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is DZIAXRGWMWKOMO-UHOFOFEASA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11(2)16-18(24)20-7-8-22(16)19(25)13-5-4-6-14(10-13)21-17(23)15-9-12(15)3/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,20,24)(H,21,23)/t12-,15+,16-/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124834746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).