N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide

C19H27N3O3 — CID 95151097

IUPACN'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide
SMILESC[C@@H]1CCCCN1CCOc1ccccc1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C19H27N3O3/c1-14-6-4-5-11-22(14)12-13-25-17-8-3-2-7-16(17)19(24)21-20-18(23)15-9-10-15/h2-3,7-8,14-15H,4-6,9-13H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyRVHBFRRIRGIHCI-CQSZACIVSA-N
MW345.44 g/mol
LogP2.11
Rot. Bonds6

About N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide

N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide (PubChem CID 95151097) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide
PubChem CID95151097
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide
SMILESC[C@@H]1CCCCN1CCOc1ccccc1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C19H27N3O3/c1-14-6-4-5-11-22(14)12-13-25-17-8-3-2-7-16(17)19(24)21-20-18(23)15-9-10-15/h2-3,7-8,14-15H,4-6,9-13H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyRVHBFRRIRGIHCI-CQSZACIVSA-N
XLogP2.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
N-(2-cyanoethyl)-N-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308016
N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308015
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
(4,4-difluoropiperidin-1-yl)-[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanone
CID 90685177
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
N'-(cyclohexanecarbonyl)-2-propan-2-yloxybenzohydrazide
CID 17045681
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
1-[2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 60690046
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide (CID 95151097) is N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide is C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NNC(=O)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide?
The InChIKey is RVHBFRRIRGIHCI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-6-4-5-11-22(14)12-13-25-17-8-3-2-7-16(17)19(24)21-20-18(23)15-9-10-15/h2-3,7-8,14-15H,4-6,9-13H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide?
N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide has a molecular weight of 345.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide is sourced from PubChem (CID 95151097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).