(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C17H26FN3O2 — CID 97453605

IUPAC(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1F
InChIInChI=1S/C17H26FN3O2/c1-13-5-6-14(9-15(13)18)19-16(23)21-8-4-7-17(11-21,12-22)10-20(2)3/h5-6,9,22H,4,7-8,10-12H2,1-3H3,(H,19,23)/t17-/m1/s1
InChIKeyKFOYMHFNLNGAJD-QGZVFWFLSA-N
MW323.41 g/mol
LogP2.30
Rot. Bonds4

About (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 97453605) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID97453605
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1F
InChIInChI=1S/C17H26FN3O2/c1-13-5-6-14(9-15(13)18)19-16(23)21-8-4-7-17(11-21,12-22)10-20(2)3/h5-6,9,22H,4,7-8,10-12H2,1-3H3,(H,19,23)/t17-/m1/s1
InChIKeyKFOYMHFNLNGAJD-QGZVFWFLSA-N
XLogP2.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)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

3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 72931767
N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide
CID 91842778
(3S)-N-(3-acetamido-4-fluorophenyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 97436375
(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125167670
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
1-[(3R)-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99946177
(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125435428
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
1-(3-fluoro-4-methylanilino)cyclopentane-1-carboxylic acid
CID 114990350

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 97453605) is (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1F.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KFOYMHFNLNGAJD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-13-5-6-14(9-15(13)18)19-16(23)21-8-4-7-17(11-21,12-22)10-20(2)3/h5-6,9,22H,4,7-8,10-12H2,1-3H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97453605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).