3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride

C17H35Cl2N3O — CID 119863426

IUPAC3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-12-7-13(2)10-20(9-12)17(3,4)11-19-16(21)14-5-6-15(18)8-14;;/h12-15H,5-11,18H2,1-4H3,(H,19,21);2*1H
InChIKeyOVXVDSNVKFNKJS-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119863426) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119863426
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC Name3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-12-7-13(2)10-20(9-12)17(3,4)11-19-16(21)14-5-6-15(18)8-14;;/h12-15H,5-11,18H2,1-4H3,(H,19,21);2*1H
InChIKeyOVXVDSNVKFNKJS-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350
3-amino-N-(2-ethoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 114942255
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551930
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60569286
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119863449
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799017
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443815
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119863420

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119863426) is 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride is CC1CC(C)CN(C(C)(C)CNC(=O)C2CCC(N)C2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is OVXVDSNVKFNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/c1-12-7-13(2)10-20(9-12)17(3,4)11-19-16(21)14-5-6-15(18)8-14;;/h12-15H,5-11,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119863426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).