(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C18H25FN2O2 — CID 95977904

IUPAC(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C18H25FN2O2/c19-16-8-6-15(7-9-16)17(14-4-1-5-14)20-18(23)21-10-2-3-13(11-21)12-22/h6-9,13-14,17,22H,1-5,10-12H2,(H,20,23)/t13-,17-/m1/s1
InChIKeyNPXXFUQODMZOFQ-CXAGYDPISA-N
MW320.41 g/mol
LogP3.08
Rot. Bonds4

About (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 95977904) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID95977904
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C18H25FN2O2/c19-16-8-6-15(7-9-16)17(14-4-1-5-14)20-18(23)21-10-2-3-13(11-21)12-22/h6-9,13-14,17,22H,1-5,10-12H2,(H,20,23)/t13-,17-/m1/s1
InChIKeyNPXXFUQODMZOFQ-CXAGYDPISA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97012359
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 95977904) is (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@@H](CO)C1.
What is the InChIKey of (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is NPXXFUQODMZOFQ-CXAGYDPISA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-16-8-6-15(7-9-16)17(14-4-1-5-14)20-18(23)21-10-2-3-13(11-21)12-22/h6-9,13-14,17,22H,1-5,10-12H2,(H,20,23)/t13-,17-/m1/s1.
What are the key properties of (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95977904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).