propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate

C19H27N3O4 — CID 7265416

IUPACpropyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
SMILESCCCO/C(=N\C(=O)c1ccc2c(c1)OCO2)N(C)C1CCN(C)CC1
InChIInChI=1S/C19H27N3O4/c1-4-11-24-19(22(3)15-7-9-21(2)10-8-15)20-18(23)14-5-6-16-17(12-14)26-13-25-16/h5-6,12,15H,4,7-11,13H2,1-3H3/b20-19-
InChIKeyCURNOCBDRIANCG-VXPUYCOJSA-N
MW361.44 g/mol
LogP2.36
Rot. Bonds4

About propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate

propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate (PubChem CID 7265416) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate.

Molecular Properties

Compound Namepropyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
PubChem CID7265416
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namepropyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
SMILESCCCO/C(=N\C(=O)c1ccc2c(c1)OCO2)N(C)C1CCN(C)CC1
InChIInChI=1S/C19H27N3O4/c1-4-11-24-19(22(3)15-7-9-21(2)10-8-15)20-18(23)14-5-6-16-17(12-14)26-13-25-16/h5-6,12,15H,4,7-11,13H2,1-3H3/b20-19-
InChIKeyCURNOCBDRIANCG-VXPUYCOJSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 46125916
ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 7356612
ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 110866788
ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7301572
2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate
CID 4309380
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N,1-dimethylazetidine-3-carboxamide;propane
CID 168989795
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;hydrochloride
CID 71750183
N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;methane
CID 117065179
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008

Frequently Asked Questions

What is the IUPAC name of propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The IUPAC name of propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate (CID 7265416) is propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate.
What is the SMILES notation for propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The canonical SMILES for propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate is CCCO/C(=N\C(=O)c1ccc2c(c1)OCO2)N(C)C1CCN(C)CC1.
What is the InChIKey of propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The InChIKey is CURNOCBDRIANCG-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-11-24-19(22(3)15-7-9-21(2)10-8-15)20-18(23)14-5-6-16-17(12-14)26-13-25-16/h5-6,12,15H,4,7-11,13H2,1-3H3/b20-19-.
What are the key properties of propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate has a molecular weight of 361.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate is sourced from PubChem (CID 7265416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).