(3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C17H28N6O3 — CID 72897240

IUPAC(3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1cnnc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N6O3/c1-12(2)23-11-20-21-15(23)10-19-16(24)13-7-14(9-18-8-13)17(25)22-3-5-26-6-4-22/h11-14,18H,3-10H2,1-2H3,(H,19,24)/t13-,14-/m1/s1
InChIKeyLPZBGWAALGKIQP-ZIAGYGMSSA-N
MW364.45 g/mol
LogP-0.44
Rot. Bonds5

About (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

(3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 72897240) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID72897240
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name(3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1cnnc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N6O3/c1-12(2)23-11-20-21-15(23)10-19-16(24)13-7-14(9-18-8-13)17(25)22-3-5-26-6-4-22/h11-14,18H,3-10H2,1-2H3,(H,19,24)/t13-,14-/m1/s1
InChIKeyLPZBGWAALGKIQP-ZIAGYGMSSA-N
XLogP-0.44
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide 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 (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 72897240) is (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is CC(C)n1cnnc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LPZBGWAALGKIQP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-12(2)23-11-20-21-15(23)10-19-16(24)13-7-14(9-18-8-13)17(25)22-3-5-26-6-4-22/h11-14,18H,3-10H2,1-2H3,(H,19,24)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
(3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72897240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).