N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride

C13H25Cl2N3O2 — CID 119900351

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2CNCCO2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C13H23N3O2.2ClH/c1-9-6-10(8-16(9)11-2-3-11)15-13(17)12-7-14-4-5-18-12;;/h9-12,14H,2-8H2,1H3,(H,15,17);2*1H
InChIKeyLGYQONTWWRUDIC-UHFFFAOYSA-N
MW326.27 g/mol
LogP0.56
Rot. Bonds3

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 119900351) has the molecular formula C13H25Cl2N3O2 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride
PubChem CID119900351
Molecular FormulaC13H25Cl2N3O2
Molecular Weight326.27 g/mol
Exact Mass325.13
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2CNCCO2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C13H23N3O2.2ClH/c1-9-6-10(8-16(9)11-2-3-11)15-13(17)12-7-14-4-5-18-12;;/h9-12,14H,2-8H2,1H3,(H,15,17);2*1H
InChIKeyLGYQONTWWRUDIC-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide
CID 124693849
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)morpholine-2-carboxamide;dihydrochloride
CID 119854357
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
N-(4-ethylcyclohexyl)morpholine-2-carboxamide;hydrochloride
CID 119716179
N-(3-propan-2-ylcyclohexyl)morpholine-2-carboxamide;hydrochloride
CID 119775875
N-(1-cyclohexylpiperidin-4-yl)morpholine-2-carboxamide
CID 119895208
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
CID 119900365
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
CID 119818298
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119899460
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride (CID 119900351) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride is CC1CC(NC(=O)C2CNCCO2)CN1C1CC1.Cl.Cl.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is LGYQONTWWRUDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.2ClH/c1-9-6-10(8-16(9)11-2-3-11)15-13(17)12-7-14-4-5-18-12;;/h9-12,14H,2-8H2,1H3,(H,15,17);2*1H.
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 326.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119900351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).