(2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone

C20H27N5O2 — CID 121314163

IUPAC(2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](n2ncc(C(C)(C)O)n2)CN1C(=O)c1cccnc1C1CC1
InChIInChI=1S/C20H27N5O2/c1-13-6-9-15(25-22-11-17(23-25)20(2,3)27)12-24(13)19(26)16-5-4-10-21-18(16)14-7-8-14/h4-5,10-11,13-15,27H,6-9,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyULIJGIRFRMZMGP-UKRRQHHQSA-N
MW369.47 g/mol
LogP2.64
Rot. Bonds4

About (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone

(2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 121314163) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID121314163
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](n2ncc(C(C)(C)O)n2)CN1C(=O)c1cccnc1C1CC1
InChIInChI=1S/C20H27N5O2/c1-13-6-9-15(25-22-11-17(23-25)20(2,3)27)12-24(13)19(26)16-5-4-10-21-18(16)14-7-8-14/h4-5,10-11,13-15,27H,6-9,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyULIJGIRFRMZMGP-UKRRQHHQSA-N
XLogP2.64
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone (CID 121314163) is (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone is C[C@@H]1CC[C@@H](n2ncc(C(C)(C)O)n2)CN1C(=O)c1cccnc1C1CC1.
What is the InChIKey of (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is ULIJGIRFRMZMGP-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-6-9-15(25-22-11-17(23-25)20(2,3)27)12-24(13)19(26)16-5-4-10-21-18(16)14-7-8-14/h4-5,10-11,13-15,27H,6-9,12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
(2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-3-pyridinyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 121314163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).