(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide

C20H30N4O — CID 175719148

IUPAC(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide
SMILESN[C@@H]1CCN(C2CCCCC2)C[C@H]1C(=O)NC1(c2ccccn2)CC1
InChIInChI=1S/C20H30N4O/c21-17-9-13-24(15-6-2-1-3-7-15)14-16(17)19(25)23-20(10-11-20)18-8-4-5-12-22-18/h4-5,8,12,15-17H,1-3,6-7,9-11,13-14,21H2,(H,23,25)/t16-,17-/m1/s1
InChIKeyDFMRHDMDFUYRRJ-IAGOWNOFSA-N
MW342.49 g/mol
LogP2.17
Rot. Bonds4

About (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide

(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide (PubChem CID 175719148) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide
PubChem CID175719148
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide
SMILESN[C@@H]1CCN(C2CCCCC2)C[C@H]1C(=O)NC1(c2ccccn2)CC1
InChIInChI=1S/C20H30N4O/c21-17-9-13-24(15-6-2-1-3-7-15)14-16(17)19(25)23-20(10-11-20)18-8-4-5-12-22-18/h4-5,8,12,15-17H,1-3,6-7,9-11,13-14,21H2,(H,23,25)/t16-,17-/m1/s1
InChIKeyDFMRHDMDFUYRRJ-IAGOWNOFSA-N
XLogP2.17
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide with MolForge

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Related Compounds

[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 134209461
methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
CID 175719062
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
CID 167751037
N-(1-cyclopentylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide
CID 110474904
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 143249723
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 25133839
N-(1-cyclopentylpyrrolidin-3-yl)-2-pyrazol-1-ylpyridine-3-carboxamide
CID 166197651
anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
CID 144968395

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide (CID 175719148) is (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide is N[C@@H]1CCN(C2CCCCC2)C[C@H]1C(=O)NC1(c2ccccn2)CC1.
What is the InChIKey of (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide?
The InChIKey is DFMRHDMDFUYRRJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H30N4O/c21-17-9-13-24(15-6-2-1-3-7-15)14-16(17)19(25)23-20(10-11-20)18-8-4-5-12-22-18/h4-5,8,12,15-17H,1-3,6-7,9-11,13-14,21H2,(H,23,25)/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide?
(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide is sourced from PubChem (CID 175719148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).