(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide

C17H26FN3O2 — CID 96565751

IUPAC(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C17H26FN3O2/c1-12(16-14(18)8-5-9-15(16)23-4)19-17(22)21-10-6-7-13(11-21)20(2)3/h5,8-9,12-13H,6-7,10-11H2,1-4H3,(H,19,22)/t12-,13+/m0/s1
InChIKeyUSVSUEOJGWGVLV-QWHCGFSZSA-N
MW323.41 g/mol
LogP2.63
Rot. Bonds4

About (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide

(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 96565751) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID96565751
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C17H26FN3O2/c1-12(16-14(18)8-5-9-15(16)23-4)19-17(22)21-10-6-7-13(11-21)20(2)3/h5,8-9,12-13H,6-7,10-11H2,1-4H3,(H,19,22)/t12-,13+/m0/s1
InChIKeyUSVSUEOJGWGVLV-QWHCGFSZSA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 97334409
4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 95968299
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 95598565
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 126783733
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97020554
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 95968272
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 96565751) is (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is USVSUEOJGWGVLV-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12(16-14(18)8-5-9-15(16)23-4)19-17(22)21-10-6-7-13(11-21)20(2)3/h5,8-9,12-13H,6-7,10-11H2,1-4H3,(H,19,22)/t12-,13+/m0/s1.
What are the key properties of (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide?
(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 96565751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).