(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C22H26FN3O2 — CID 97444795

IUPAC(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26FN3O2/c1-2-24-21(27)18-6-3-7-20(14-18)25-22(28)26-12-4-5-17(15-26)13-16-8-10-19(23)11-9-16/h3,6-11,14,17H,2,4-5,12-13,15H2,1H3,(H,24,27)(H,25,28)/t17-/m0/s1
InChIKeyWBDQZWIGNKMTPN-KRWDZBQOSA-N
MW383.47 g/mol
LogP4.06
Rot. Bonds5

About (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 97444795) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID97444795
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26FN3O2/c1-2-24-21(27)18-6-3-7-20(14-18)25-22(28)26-12-4-5-17(15-26)13-16-8-10-19(23)11-9-16/h3,6-11,14,17H,2,4-5,12-13,15H2,1H3,(H,24,27)(H,25,28)/t17-/m0/s1
InChIKeyWBDQZWIGNKMTPN-KRWDZBQOSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-[1-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropyl]urea
CID 10296811
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401
4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509665
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
CID 54011116
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
1-cyano-3-(3,5-diacetylphenyl)-2-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-oxopropyl]guanidine
CID 10278143
3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propylcarbamoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 87975887
(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443384
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 97444795) is (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is CCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WBDQZWIGNKMTPN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-2-24-21(27)18-6-3-7-20(14-18)25-22(28)26-12-4-5-17(15-26)13-16-8-10-19(23)11-9-16/h3,6-11,14,17H,2,4-5,12-13,15H2,1H3,(H,24,27)(H,25,28)/t17-/m0/s1.
What are the key properties of (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97444795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).