(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide

C21H36N4O2 — CID 56858385

IUPAC(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(CC(C)C)C2)cn1
InChIInChI=1S/C21H36N4O2/c1-16(2)12-25-13-18(15-27-20-7-6-17(3)23-11-20)10-19(14-25)21(26)22-8-9-24(4)5/h6-7,11,16,18-19H,8-10,12-15H2,1-5H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyIKQWNZCGUUCXQL-RBUKOAKNSA-N
MW376.55 g/mol
LogP2.04
Rot. Bonds9

About (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide

(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide (PubChem CID 56858385) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
PubChem CID56858385
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(CC(C)C)C2)cn1
InChIInChI=1S/C21H36N4O2/c1-16(2)12-25-13-18(15-27-20-7-6-17(3)23-11-20)10-19(14-25)21(26)22-8-9-24(4)5/h6-7,11,16,18-19H,8-10,12-15H2,1-5H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyIKQWNZCGUUCXQL-RBUKOAKNSA-N
XLogP2.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]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,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide (CID 56858385) is (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide is Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(CC(C)C)C2)cn1.
What is the InChIKey of (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
The InChIKey is IKQWNZCGUUCXQL-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-16(2)12-25-13-18(15-27-20-7-6-17(3)23-11-20)10-19(14-25)21(26)22-8-9-24(4)5/h6-7,11,16,18-19H,8-10,12-15H2,1-5H3,(H,22,26)/t18-,19+/m0/s1.
What are the key properties of (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide is sourced from PubChem (CID 56858385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).