(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide

C16H26N4O2 — CID 95194911

IUPAC(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
SMILESCCO[C@H]1CCCN(C(=O)N[C@@H]2CCCc3c2cnn3C)C1
InChIInChI=1S/C16H26N4O2/c1-3-22-12-6-5-9-20(11-12)16(21)18-14-7-4-8-15-13(14)10-17-19(15)2/h10,12,14H,3-9,11H2,1-2H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyUUCDWFONOUBXAT-GXTWGEPZSA-N
MW306.41 g/mol
LogP2.01
Rot. Bonds3

About (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide

(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide (PubChem CID 95194911) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
PubChem CID95194911
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
SMILESCCO[C@H]1CCCN(C(=O)N[C@@H]2CCCc3c2cnn3C)C1
InChIInChI=1S/C16H26N4O2/c1-3-22-12-6-5-9-20(11-12)16(21)18-14-7-4-8-15-13(14)10-17-19(15)2/h10,12,14H,3-9,11H2,1-2H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyUUCDWFONOUBXAT-GXTWGEPZSA-N
XLogP2.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
N-(3-ethoxycyclobutyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 112553059
7-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94804289
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52658202
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(1S,6S)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124855741
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
CID 49124992
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
CID 110471734
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide (CID 95194911) is (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide is CCO[C@H]1CCCN(C(=O)N[C@@H]2CCCc3c2cnn3C)C1.
What is the InChIKey of (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide?
The InChIKey is UUCDWFONOUBXAT-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-22-12-6-5-9-20(11-12)16(21)18-14-7-4-8-15-13(14)10-17-19(15)2/h10,12,14H,3-9,11H2,1-2H3,(H,18,21)/t12-,14+/m0/s1.
What are the key properties of (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide?
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95194911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).