N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide

C19H27FN2O2 — CID 95573108

IUPACN-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-2-24-17-10-12-22(13-11-17)19(23)21-18(14-4-3-5-14)15-6-8-16(20)9-7-15/h6-9,14,17-18H,2-5,10-13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyDGTPWNLBQZWKQE-SFHVURJKSA-N
MW334.44 g/mol
LogP3.88
Rot. Bonds5

About N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide

N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide (PubChem CID 95573108) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
PubChem CID95573108
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-2-24-17-10-12-22(13-11-17)19(23)21-18(14-4-3-5-14)15-6-8-16(20)9-7-15/h6-9,14,17-18H,2-5,10-13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyDGTPWNLBQZWKQE-SFHVURJKSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616
ethyl 1-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60547795
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
CID 51091257
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide (CID 95573108) is N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide is CCOC1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1.
What is the InChIKey of N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide?
The InChIKey is DGTPWNLBQZWKQE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-2-24-17-10-12-22(13-11-17)19(23)21-18(14-4-3-5-14)15-6-8-16(20)9-7-15/h6-9,14,17-18H,2-5,10-13H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide?
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 95573108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).