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

C17H31Cl2N3O — CID 119854201

IUPAC3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C17H29N3O.2ClH/c18-16-13-4-3-12(9-13)15(16)17(21)19-14-5-7-20(8-6-14)10-11-1-2-11;;/h11-16H,1-10,18H2,(H,19,21);2*1H
InChIKeyYIXHQYBCKBUZRM-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.19
Rot. Bonds4

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

3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119854201) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119854201
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC Name3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C17H29N3O.2ClH/c18-16-13-4-3-12(9-13)15(16)17(21)19-14-5-7-20(8-6-14)10-11-1-2-11;;/h11-16H,1-10,18H2,(H,19,21);2*1H
InChIKeyYIXHQYBCKBUZRM-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726919
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890
3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119895169
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119857377
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119901353
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629
3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103811724
(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633533
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894699
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119899508
3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854673

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119854201) is 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)NC1CCN(CC2CC2)CC1.
What is the InChIKey of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is YIXHQYBCKBUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c18-16-13-4-3-12(9-13)15(16)17(21)19-14-5-7-20(8-6-14)10-11-1-2-11;;/h11-16H,1-10,18H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 364.36 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-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119854201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).