N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide

C19H27FN2O3 — CID 45205523

IUPACN-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(CO)(CC2CCCCO2)CC1
InChIInChI=1S/C19H27FN2O3/c20-15-4-6-16(7-5-15)21-18(24)22-10-8-19(14-23,9-11-22)13-17-3-1-2-12-25-17/h4-7,17,23H,1-3,8-14H2,(H,21,24)
InChIKeyYCAVWUYNOLLRRW-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.39
Rot. Bonds4

About N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide

N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 45205523) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID45205523
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(CO)(CC2CCCCO2)CC1
InChIInChI=1S/C19H27FN2O3/c20-15-4-6-16(7-5-15)21-18(24)22-10-8-19(14-23,9-11-22)13-17-3-1-2-12-25-17/h4-7,17,23H,1-3,8-14H2,(H,21,24)
InChIKeyYCAVWUYNOLLRRW-UHFFFAOYSA-N
XLogP3.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 95218387
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656
ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
CID 45200318
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
CID 8719224
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
CID 9252789
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610
1-N-(4-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]piperazine-1,2,4-tricarboxamide
CID 134085417
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide (CID 45205523) is N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(CO)(CC2CCCCO2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is YCAVWUYNOLLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-15-4-6-16(7-5-15)21-18(24)22-10-8-19(14-23,9-11-22)13-17-3-1-2-12-25-17/h4-7,17,23H,1-3,8-14H2,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 45205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).