1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C19H27FN6O — CID 126798625

IUPAC1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nnnn1-c1cc(NCC2CCN(C(=O)C(C)(C)C)CC2)ccc1F
InChIInChI=1S/C19H27FN6O/c1-13-22-23-24-26(13)17-11-15(5-6-16(17)20)21-12-14-7-9-25(10-8-14)18(27)19(2,3)4/h5-6,11,14,21H,7-10,12H2,1-4H3
InChIKeyQCFVBBYHTRWMSG-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.81
Rot. Bonds4

About 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126798625) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126798625
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nnnn1-c1cc(NCC2CCN(C(=O)C(C)(C)C)CC2)ccc1F
InChIInChI=1S/C19H27FN6O/c1-13-22-23-24-26(13)17-11-15(5-6-16(17)20)21-12-14-7-9-25(10-8-14)18(27)19(2,3)4/h5-6,11,14,21H,7-10,12H2,1-4H3
InChIKeyQCFVBBYHTRWMSG-UHFFFAOYSA-N
XLogP2.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

(4aR,8aS)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 129344839
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-2-[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 90198835
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
N-(cyclopropylcarbamoyl)-2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]acetamide
CID 154748238
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95320054
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]urea
CID 146076701
N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913316
5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide
CID 56579283
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
tert-butyl 4-[(3-iodo-4-methylanilino)methyl]piperidine-1-carboxylate
CID 103730154
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56514408
4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 126798625) is 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is Cc1nnnn1-c1cc(NCC2CCN(C(=O)C(C)(C)C)CC2)ccc1F.
What is the InChIKey of 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QCFVBBYHTRWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-13-22-23-24-26(13)17-11-15(5-6-16(17)20)21-12-14-7-9-25(10-8-14)18(27)19(2,3)4/h5-6,11,14,21H,7-10,12H2,1-4H3.
What are the key properties of 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 374.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126798625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).