N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide

C19H30FN3O2 — CID 125448685

IUPACN-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
SMILESCC(C)[C@@H](CNC(=O)N1CCC(Oc2ccccc2F)CC1)N(C)C
InChIInChI=1S/C19H30FN3O2/c1-14(2)17(22(3)4)13-21-19(24)23-11-9-15(10-12-23)25-18-8-6-5-7-16(18)20/h5-8,14-15,17H,9-13H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyMMZPNAAFERKSPN-QGZVFWFLSA-N
MW351.47 g/mol
LogP2.96
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide (PubChem CID 125448685) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
PubChem CID125448685
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
SMILESCC(C)[C@@H](CNC(=O)N1CCC(Oc2ccccc2F)CC1)N(C)C
InChIInChI=1S/C19H30FN3O2/c1-14(2)17(22(3)4)13-21-19(24)23-11-9-15(10-12-23)25-18-8-6-5-7-16(18)20/h5-8,14-15,17H,9-13H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyMMZPNAAFERKSPN-QGZVFWFLSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 119061623
4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 125447682
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 95934076
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46957140
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968686
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454
3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
CID 122019186
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
CID 90616960

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide (CID 125448685) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide is CC(C)[C@@H](CNC(=O)N1CCC(Oc2ccccc2F)CC1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide?
The InChIKey is MMZPNAAFERKSPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-14(2)17(22(3)4)13-21-19(24)23-11-9-15(10-12-23)25-18-8-6-5-7-16(18)20/h5-8,14-15,17H,9-13H2,1-4H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide?
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 125448685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).