(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide

C18H25FN2O2 — CID 72847414

IUPAC(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C18H25FN2O2/c1-13-12-21(9-8-18(13,23)15-5-3-6-15)17(22)20-11-14-4-2-7-16(19)10-14/h2,4,7,10,13,15,23H,3,5-6,8-9,11-12H2,1H3,(H,20,22)/t13-,18+/m1/s1
InChIKeySJXCEJYDUAIDPN-ACJLOTCBSA-N
MW320.41 g/mol
LogP2.91
Rot. Bonds3

About (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide

(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 72847414) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID72847414
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C18H25FN2O2/c1-13-12-21(9-8-18(13,23)15-5-3-6-15)17(22)20-11-14-4-2-7-16(19)10-14/h2,4,7,10,13,15,23H,3,5-6,8-9,11-12H2,1H3,(H,20,22)/t13-,18+/m1/s1
InChIKeySJXCEJYDUAIDPN-ACJLOTCBSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 72870061
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496
N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019592
(3S,4S)-1-[(3-fluorophenyl)methylcarbamoyl]-4-propylpyrrolidine-3-carboxylic acid
CID 72889604
(4S)-8-[(3-fluorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97130935
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide
CID 151890176
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 62930165
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide (CID 72847414) is (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide is C[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is SJXCEJYDUAIDPN-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-12-21(9-8-18(13,23)15-5-3-6-15)17(22)20-11-14-4-2-7-16(19)10-14/h2,4,7,10,13,15,23H,3,5-6,8-9,11-12H2,1H3,(H,20,22)/t13-,18+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 72847414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).