4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide

C18H27FN2O3 — CID 111482924

IUPAC4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O3/c1-18(2,24-3)12-20-17(23)21-10-8-14(9-11-21)16(22)13-4-6-15(19)7-5-13/h4-7,14,16,22H,8-12H2,1-3H3,(H,20,23)
InChIKeyJFJVAKQWVPRMTF-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.71
Rot. Bonds5

About 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide

4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide (PubChem CID 111482924) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
PubChem CID111482924
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O3/c1-18(2,24-3)12-20-17(23)21-10-8-14(9-11-21)16(22)13-4-6-15(19)7-5-13/h4-7,14,16,22H,8-12H2,1-3H3,(H,20,23)
InChIKeyJFJVAKQWVPRMTF-UHFFFAOYSA-N
XLogP2.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482920
N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109172
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 86900823
4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122022013
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide (CID 111482924) is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide is COC(C)(C)CNC(=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is JFJVAKQWVPRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-18(2,24-3)12-20-17(23)21-10-8-14(9-11-21)16(22)13-4-6-15(19)7-5-13/h4-7,14,16,22H,8-12H2,1-3H3,(H,20,23).
What are the key properties of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 111482924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).