N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide

C18H28N4O2+2 — CID 3659582

IUPACN'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide
SMILESC[NH+]1CC=C(NNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-21-8-6-17(7-9-21)19-20-18(23)16-4-2-15(3-5-16)14-22-10-12-24-13-11-22/h2-6,19H,7-14H2,1H3,(H,20,23)/p+2
InChIKeyRXKYZCOBKRBFIT-UHFFFAOYSA-P
MW332.45 g/mol
LogP-1.86
Rot. Bonds5

About N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide

N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide (PubChem CID 3659582) has the molecular formula C18H28N4O2+2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide
PubChem CID3659582
Molecular FormulaC18H28N4O2+2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide
SMILESC[NH+]1CC=C(NNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-21-8-6-17(7-9-21)19-20-18(23)16-4-2-15(3-5-16)14-22-10-12-24-13-11-22/h2-6,19H,7-14H2,1H3,(H,20,23)/p+2
InChIKeyRXKYZCOBKRBFIT-UHFFFAOYSA-P
XLogP-1.86
TPSA59.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7457311
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6946389
N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2205983
N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 3663475
N'-(cycloocten-1-yl)-4-(morpholin-4-ylmethyl)benzohydrazide
CID 3659350
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide?
The IUPAC name of N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide (CID 3659582) is N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide.
What is the SMILES notation for N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide?
The canonical SMILES for N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide is C[NH+]1CC=C(NNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1.
What is the InChIKey of N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide?
The InChIKey is RXKYZCOBKRBFIT-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H26N4O2/c1-21-8-6-17(7-9-21)19-20-18(23)16-4-2-15(3-5-16)14-22-10-12-24-13-11-22/h2-6,19H,7-14H2,1H3,(H,20,23)/p+2.
What are the key properties of N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide?
N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide has a molecular weight of 332.45 g/mol, XLogP of -1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide is sourced from PubChem (CID 3659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).