(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide

C18H23FN2O3 — CID 129485209

IUPAC(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCC2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H23FN2O3/c1-13(22)21-10-2-7-18(24,12-21)16(23)20-11-17(8-9-17)14-3-5-15(19)6-4-14/h3-6,24H,2,7-12H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyKWNDFMVUEOFSNH-SFHVURJKSA-N
MW334.39 g/mol
LogP1.35
Rot. Bonds4

About (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129485209) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129485209
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCC2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H23FN2O3/c1-13(22)21-10-2-7-18(24,12-21)16(23)20-11-17(8-9-17)14-3-5-15(19)6-4-14/h3-6,24H,2,7-12H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyKWNDFMVUEOFSNH-SFHVURJKSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485208
(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 129487146
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129491669
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
(3S)-1-acetyl-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129486351
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290
(3S)-1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129345621
1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128988868
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
(3S)-1-acetyl-N-[(4-chloro-2,5-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485409
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide (CID 129485209) is (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCC[C@@](O)(C(=O)NCC2(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is KWNDFMVUEOFSNH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-13(22)21-10-2-7-18(24,12-21)16(23)20-11-17(8-9-17)14-3-5-15(19)6-4-14/h3-6,24H,2,7-12H2,1H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129485209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).