N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide

C20H26N2O3 — CID 95276103

IUPACN-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C20H26N2O3/c1-14(2)19(23)21-11-15-6-5-9-22(12-15)20(24)17-10-16-7-3-4-8-18(16)25-13-17/h3-4,7-8,10,14-15H,5-6,9,11-13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyHQTYBDRCZYMEMR-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.47
Rot. Bonds4

About N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 95276103) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID95276103
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C20H26N2O3/c1-14(2)19(23)21-11-15-6-5-9-22(12-15)20(24)17-10-16-7-3-4-8-18(16)25-13-17/h3-4,7-8,10,14-15H,5-6,9,11-13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyHQTYBDRCZYMEMR-HNNXBMFYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide 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

2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
N-[[(3S)-1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95280258
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
N-[[(3S)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95315280

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 95276103) is N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1.
What is the InChIKey of N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is HQTYBDRCZYMEMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)19(23)21-11-15-6-5-9-22(12-15)20(24)17-10-16-7-3-4-8-18(16)25-13-17/h3-4,7-8,10,14-15H,5-6,9,11-13H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95276103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).