3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C16H31Cl2N3O — CID 119834897

IUPAC3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCCCN1CCC(NC(=O)C2C3CCC(C3)C2N)CC1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-2-7-19-8-5-13(6-9-19)18-16(20)14-11-3-4-12(10-11)15(14)17;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H
InChIKeyPWSFGQVCRBJIFX-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119834897) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119834897
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Name3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCCCN1CCC(NC(=O)C2C3CCC(C3)C2N)CC1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-2-7-19-8-5-13(6-9-19)18-16(20)14-11-3-4-12(10-11)15(14)17;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H
InChIKeyPWSFGQVCRBJIFX-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854201
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890
3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726919
3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119895169
2-amino-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62777037
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119901353
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119857377
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
4-hydroxy-N-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119834916
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119885437

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119834897) is 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is CCCN1CCC(NC(=O)C2C3CCC(C3)C2N)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is PWSFGQVCRBJIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c1-2-7-19-8-5-13(6-9-19)18-16(20)14-11-3-4-12(10-11)15(14)17;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119834897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).