(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide

C17H29N5O2 — CID 96569286

IUPAC(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1
InChIInChI=1S/C17H29N5O2/c1-3-24-13-14-6-8-22(10-14)17(23)19-15-5-4-7-21(11-15)16-9-18-20(2)12-16/h9,12,14-15H,3-8,10-11,13H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyHEYSPXCGBGSEBF-GJZGRUSLSA-N
MW335.45 g/mol
LogP1.46
Rot. Bonds5

About (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide

(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 96569286) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID96569286
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1
InChIInChI=1S/C17H29N5O2/c1-3-24-13-14-6-8-22(10-14)17(23)19-15-5-4-7-21(11-15)16-9-18-20(2)12-16/h9,12,14-15H,3-8,10-11,13H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyHEYSPXCGBGSEBF-GJZGRUSLSA-N
XLogP1.46
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-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-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 119157214
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
1-cyclobutyl-2-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119154152
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide (CID 96569286) is (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide is CCOC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is HEYSPXCGBGSEBF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-24-13-14-6-8-22(10-14)17(23)19-15-5-4-7-21(11-15)16-9-18-20(2)12-16/h9,12,14-15H,3-8,10-11,13H2,1-2H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide?
(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96569286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).