N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide

C19H28FN3O — CID 146122435

IUPACN-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NC2CCN(Cc3ccccc3)CC2(C)C)C1
InChIInChI=1S/C19H28FN3O/c1-18(2)12-22(11-15-7-5-4-6-8-15)10-9-16(18)21-17(24)23-13-19(3,20)14-23/h4-8,16H,9-14H2,1-3H3,(H,21,24)
InChIKeyWUGHVWLALQCQCJ-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.04
Rot. Bonds3

About N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide

N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide (PubChem CID 146122435) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide
PubChem CID146122435
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC NameN-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NC2CCN(Cc3ccccc3)CC2(C)C)C1
InChIInChI=1S/C19H28FN3O/c1-18(2)12-22(11-15-7-5-4-6-8-15)10-9-16(18)21-17(24)23-13-19(3,20)14-23/h4-8,16H,9-14H2,1-3H3,(H,21,24)
InChIKeyWUGHVWLALQCQCJ-UHFFFAOYSA-N
XLogP3.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzyl-3,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122013572
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide
CID 169240706
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656462
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
CID 68939802
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide?
The IUPAC name of N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide (CID 146122435) is N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide is CC1(F)CN(C(=O)NC2CCN(Cc3ccccc3)CC2(C)C)C1.
What is the InChIKey of N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide?
The InChIKey is WUGHVWLALQCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-18(2)12-22(11-15-7-5-4-6-8-15)10-9-16(18)21-17(24)23-13-19(3,20)14-23/h4-8,16H,9-14H2,1-3H3,(H,21,24).
What are the key properties of N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide?
N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 146122435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).