N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride

C12H23Cl2N3O2 — CID 119864795

IUPACN-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(C2CC2)C1)C1COCCN1
InChIInChI=1S/C12H21N3O2.2ClH/c16-12(11-8-17-6-4-13-11)14-9-3-5-15(7-9)10-1-2-10;;/h9-11,13H,1-8H2,(H,14,16);2*1H
InChIKeyJSMUCRVSGQGZNS-UHFFFAOYSA-N
MW312.24 g/mol
LogP0.17
Rot. Bonds3

About N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride

N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 119864795) has the molecular formula C12H23Cl2N3O2 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
PubChem CID119864795
Molecular FormulaC12H23Cl2N3O2
Molecular Weight312.24 g/mol
Exact Mass311.12
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(C2CC2)C1)C1COCCN1
InChIInChI=1S/C12H21N3O2.2ClH/c16-12(11-8-17-6-4-13-11)14-9-3-5-15(7-9)10-1-2-10;;/h9-11,13H,1-8H2,(H,14,16);2*1H
InChIKeyJSMUCRVSGQGZNS-UHFFFAOYSA-N
XLogP0.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119864828
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 119808763
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-2-carboxamide
CID 114423855
(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide
CID 124693849
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 119895333
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-3-carboxamide;hydrochloride
CID 119699477
N-(1-benzylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 119795822

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride (CID 119864795) is N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(C2CC2)C1)C1COCCN1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is JSMUCRVSGQGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.2ClH/c16-12(11-8-17-6-4-13-11)14-9-3-5-15(7-9)10-1-2-10;;/h9-11,13H,1-8H2,(H,14,16);2*1H.
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 312.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119864795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).