N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C12H25Cl2N3O2 — CID 119876503

IUPACN-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC1COCCN1CCNC(=O)C1CCCN1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-10-9-17-8-7-15(10)6-5-14-12(16)11-3-2-4-13-11;;/h10-11,13H,2-9H2,1H3,(H,14,16);2*1H
InChIKeyCTVONVKMOZLEGA-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.42
Rot. Bonds4

About N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119876503) has the molecular formula C12H25Cl2N3O2 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119876503
Molecular FormulaC12H25Cl2N3O2
Molecular Weight314.26 g/mol
Exact Mass313.13
IUPAC NameN-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC1COCCN1CCNC(=O)C1CCCN1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-10-9-17-8-7-15(10)6-5-14-12(16)11-3-2-4-13-11;;/h10-11,13H,2-9H2,1H3,(H,14,16);2*1H
InChIKeyCTVONVKMOZLEGA-UHFFFAOYSA-N
XLogP0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119827240
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119863890
(2R)-N-(4-morpholin-4-ylbutyl)piperidine-2-carboxamide
CID 119852461
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119850990
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 119895451
N-propylpyrrolidine-2-carboxamide
CID 4984185
2-amino-N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120799910

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119876503) is N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is CC1COCCN1CCNC(=O)C1CCCN1.Cl.Cl.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is CTVONVKMOZLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.2ClH/c1-10-9-17-8-7-15(10)6-5-14-12(16)11-3-2-4-13-11;;/h10-11,13H,2-9H2,1H3,(H,14,16);2*1H.
What are the key properties of N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 314.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119876503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).