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

C19H33N3O — CID 119895169

IUPAC3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H33N3O/c20-18-14-7-6-13(12-14)17(18)19(23)21-15-8-10-22(11-9-15)16-4-2-1-3-5-16/h13-18H,1-12,20H2,(H,21,23)
InChIKeyQZWKEJPXYVMPPX-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.27
Rot. Bonds3

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

3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119895169) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119895169
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H33N3O/c20-18-14-7-6-13(12-14)17(18)19(23)21-15-8-10-22(11-9-15)16-4-2-1-3-5-16/h13-18H,1-12,20H2,(H,21,23)
InChIKeyQZWKEJPXYVMPPX-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854201
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103811724
N-(1-cyclopropylpiperidin-4-yl)cyclopentanecarboxamide
CID 110750777
N-(1-cyclohexylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 119895220
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
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
(2R)-2-amino-N-(1-cyclopentylpiperidin-4-yl)propanamide
CID 119846668
N-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103759905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119895169) is 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QZWKEJPXYVMPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c20-18-14-7-6-13(12-14)17(18)19(23)21-15-8-10-22(11-9-15)16-4-2-1-3-5-16/h13-18H,1-12,20H2,(H,21,23).
What are the key properties of 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119895169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).