N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide

C21H31N3O2 — CID 97260502

IUPACN,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide
SMILESC[C@@H]1CC(C)(C)N(C(=O)C2CCN(C(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O2/c1-15-14-21(2,3)24(18-9-7-6-8-17(15)18)19(25)16-10-12-23(13-11-16)20(26)22(4)5/h6-9,15-16H,10-14H2,1-5H3/t15-/m1/s1
InChIKeyPLXRUOBZSHHQEE-OAHLLOKOSA-N
MW357.50 g/mol
LogP3.70
Rot. Bonds1

About N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide (PubChem CID 97260502) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide
PubChem CID97260502
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide
SMILESC[C@@H]1CC(C)(C)N(C(=O)C2CCN(C(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O2/c1-15-14-21(2,3)24(18-9-7-6-8-17(15)18)19(25)16-10-12-23(13-11-16)20(26)22(4)5/h6-9,15-16H,10-14H2,1-5H3/t15-/m1/s1
InChIKeyPLXRUOBZSHHQEE-OAHLLOKOSA-N
XLogP3.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide (CID 97260502) is N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide is C[C@@H]1CC(C)(C)N(C(=O)C2CCN(C(=O)N(C)C)CC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is PLXRUOBZSHHQEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-14-21(2,3)24(18-9-7-6-8-17(15)18)19(25)16-10-12-23(13-11-16)20(26)22(4)5/h6-9,15-16H,10-14H2,1-5H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 97260502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).