(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide

C18H24N6O2 — CID 145074205

IUPAC(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide
SMILES[H]/N=C/C=N\Nc1ccccc1C(=O)N1CCC[C@@H](/C(N)=N/OC2CC2)C1
InChIInChI=1S/C18H24N6O2/c19-9-10-21-22-16-6-2-1-5-15(16)18(25)24-11-3-4-13(12-24)17(20)23-26-14-7-8-14/h1-2,5-6,9-10,13-14,19,22H,3-4,7-8,11-12H2,(H2,20,23)/b19-9+,21-10-/t13-/m1/s1
InChIKeyJEOUEBVBZIGCOW-YGFGFOEHSA-N
MW356.43 g/mol
LogP2.04
Rot. Bonds7

About (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide

(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide (PubChem CID 145074205) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide.

Molecular Properties

Compound Name(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide
PubChem CID145074205
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide
SMILES[H]/N=C/C=N\Nc1ccccc1C(=O)N1CCC[C@@H](/C(N)=N/OC2CC2)C1
InChIInChI=1S/C18H24N6O2/c19-9-10-21-22-16-6-2-1-5-15(16)18(25)24-11-3-4-13(12-24)17(20)23-26-14-7-8-14/h1-2,5-6,9-10,13-14,19,22H,3-4,7-8,11-12H2,(H2,20,23)/b19-9+,21-10-/t13-/m1/s1
InChIKeyJEOUEBVBZIGCOW-YGFGFOEHSA-N
XLogP2.04
TPSA116.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone
CID 174180783
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[(3R)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 134503503
[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]methanone
CID 145069865
benzyl 4-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-1,4-diazepane-1-carboxylate;ethane
CID 143688662
N-[amino-[1-(2-aminobenzoyl)piperidin-3-yl]methylidene]-2-methoxy-2-methylpropanethioamide;ethane-1,2-diimine
CID 145069748
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
ethyl 1-[2-[2-(dicyanomethylidene)hydrazinyl]benzoyl]piperidine-3-carboxylate
CID 169340182
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 145088877
ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 51163973
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
2-[4-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-1,4-diazepan-1-yl]-5-methyl-3H-quinazolin-4-one
CID 145233995

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide?
The IUPAC name of (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide (CID 145074205) is (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide.
What is the SMILES notation for (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide?
The canonical SMILES for (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide is [H]/N=C/C=N\Nc1ccccc1C(=O)N1CCC[C@@H](/C(N)=N/OC2CC2)C1.
What is the InChIKey of (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide?
The InChIKey is JEOUEBVBZIGCOW-YGFGFOEHSA-N. The full InChI is InChI=1S/C18H24N6O2/c19-9-10-21-22-16-6-2-1-5-15(16)18(25)24-11-3-4-13(12-24)17(20)23-26-14-7-8-14/h1-2,5-6,9-10,13-14,19,22H,3-4,7-8,11-12H2,(H2,20,23)/b19-9+,21-10-/t13-/m1/s1.
What are the key properties of (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide?
(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide has a molecular weight of 356.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide is sourced from PubChem (CID 145074205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).