N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride

C18H34Cl2N4O3 — CID 119611954

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H32N4O3.2ClH/c19-12-14-3-1-2-4-16(14)20-18(24)15-11-17(23)22(13-15)6-5-21-7-9-25-10-8-21;;/h14-16H,1-13,19H2,(H,20,24);2*1H
InChIKeyFLPGNGFXEIEGNO-UHFFFAOYSA-N
MW425.40 g/mol
LogP0.64
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119611954) has the molecular formula C18H34Cl2N4O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119611954
Molecular FormulaC18H34Cl2N4O3
Molecular Weight425.40 g/mol
Exact Mass424.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H32N4O3.2ClH/c19-12-14-3-1-2-4-16(14)20-18(24)15-11-17(23)22(13-15)6-5-21-7-9-25-10-8-21;;/h14-16H,1-13,19H2,(H,20,24);2*1H
InChIKeyFLPGNGFXEIEGNO-UHFFFAOYSA-N
XLogP0.64
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119609306
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
N-[2-(aminomethyl)cyclohexyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119612498
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
N-[2-(aminomethyl)cyclohexyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119610280
N-[2-(aminomethyl)cyclopentyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119600923
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890331

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride (CID 119611954) is N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCCC1NC(=O)C1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is FLPGNGFXEIEGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3.2ClH/c19-12-14-3-1-2-4-16(14)20-18(24)15-11-17(23)22(13-15)6-5-21-7-9-25-10-8-21;;/h14-16H,1-13,19H2,(H,20,24);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 425.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119611954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).