[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

C21H32N4O — CID 134209461

IUPAC[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESN[C@@H]1CCN(C2CCCCC2)C[C@H]1C(=O)N1CCC(c2ccccn2)C1
InChIInChI=1S/C21H32N4O/c22-19-10-13-24(17-6-2-1-3-7-17)15-18(19)21(26)25-12-9-16(14-25)20-8-4-5-11-23-20/h4-5,8,11,16-19H,1-3,6-7,9-10,12-15,22H2/t16?,18-,19-/m1/s1
InChIKeyBUWZMYJHSUKXPM-VOBHOPKGSA-N
MW356.51 g/mol
LogP2.38
Rot. Bonds3

About [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 134209461) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID134209461
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESN[C@@H]1CCN(C2CCCCC2)C[C@H]1C(=O)N1CCC(c2ccccn2)C1
InChIInChI=1S/C21H32N4O/c22-19-10-13-24(17-6-2-1-3-7-17)15-18(19)21(26)25-12-9-16(14-25)20-8-4-5-11-23-20/h4-5,8,11,16-19H,1-3,6-7,9-10,12-15,22H2/t16?,18-,19-/m1/s1
InChIKeyBUWZMYJHSUKXPM-VOBHOPKGSA-N
XLogP2.38
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide
CID 175719148
(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
CID 167751037
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 25133839
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
[(1S,2R)-2-aminocyclopentyl]-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124699474
2-(4-pyridin-2-ylpiperidin-1-yl)cyclohexan-1-ol
CID 110090198
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
CID 167929183
methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
CID 175719062
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 71801548

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 134209461) is [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is N[C@@H]1CCN(C2CCCCC2)C[C@H]1C(=O)N1CCC(c2ccccn2)C1.
What is the InChIKey of [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is BUWZMYJHSUKXPM-VOBHOPKGSA-N. The full InChI is InChI=1S/C21H32N4O/c22-19-10-13-24(17-6-2-1-3-7-17)15-18(19)21(26)25-12-9-16(14-25)20-8-4-5-11-23-20/h4-5,8,11,16-19H,1-3,6-7,9-10,12-15,22H2/t16?,18-,19-/m1/s1.
What are the key properties of [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 134209461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).