3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119845961

IUPAC3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CN(c2ccccc2NC(=O)C2CCC(N)C2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-12-10-21(11-13(2)23-12)17-6-4-3-5-16(17)20-18(22)14-7-8-15(19)9-14;;/h3-6,12-15H,7-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyLDTQAOVHHIXTPR-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.21
Rot. Bonds3

About 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119845961) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119845961
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CN(c2ccccc2NC(=O)C2CCC(N)C2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-12-10-21(11-13(2)23-12)17-6-4-3-5-16(17)20-18(22)14-7-8-15(19)9-14;;/h3-6,12-15H,7-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyLDTQAOVHHIXTPR-UHFFFAOYSA-N
XLogP3.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633562
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
3-amino-N-(2-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010182
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide
CID 124861275
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119797989
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119845961) is 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is CC1CN(c2ccccc2NC(=O)C2CCC(N)C2)CC(C)O1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is LDTQAOVHHIXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-12-10-21(11-13(2)23-12)17-6-4-3-5-16(17)20-18(22)14-7-8-15(19)9-14;;/h3-6,12-15H,7-11,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119845961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).