(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C20H30FN3O2 — CID 38103352

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H30FN3O2/c21-19-6-4-17(5-7-19)15-24-9-1-3-18(16-24)20(25)22-8-2-10-23-11-13-26-14-12-23/h4-7,18H,1-3,8-16H2,(H,22,25)/t18-/m0/s1
InChIKeyWYCOUTWNJCCALD-SFHVURJKSA-N
MW363.48 g/mol
LogP1.88
Rot. Bonds7

About (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 38103352) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID38103352
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H30FN3O2/c21-19-6-4-17(5-7-19)15-24-9-1-3-18(16-24)20(25)22-8-2-10-23-11-13-26-14-12-23/h4-7,18H,1-3,8-16H2,(H,22,25)/t18-/m0/s1
InChIKeyWYCOUTWNJCCALD-SFHVURJKSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225
N-(2-cyclohexylsulfanylethyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43922931
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
CID 94020473
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 94021500
(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020490
(3S)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020491
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 38103352) is (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is O=C(NCCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is WYCOUTWNJCCALD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30FN3O2/c21-19-6-4-17(5-7-19)15-24-9-1-3-18(16-24)20(25)22-8-2-10-23-11-13-26-14-12-23/h4-7,18H,1-3,8-16H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 38103352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).