4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C22H30FN3O3 — CID 91916297

IUPAC4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(N(C(=O)C2CC2)C2CCOCC2)CC1
InChIInChI=1S/C22H30FN3O3/c23-18-5-1-16(2-6-18)15-24-22(28)25-11-7-19(8-12-25)26(21(27)17-3-4-17)20-9-13-29-14-10-20/h1-2,5-6,17,19-20H,3-4,7-15H2,(H,24,28)
InChIKeyZGBUKCGHZRNRNU-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.92
Rot. Bonds5

About 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 91916297) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID91916297
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Name4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(N(C(=O)C2CC2)C2CCOCC2)CC1
InChIInChI=1S/C22H30FN3O3/c23-18-5-1-16(2-6-18)15-24-22(28)25-11-7-19(8-12-25)26(21(27)17-3-4-17)20-9-13-29-14-10-20/h1-2,5-6,17,19-20H,3-4,7-15H2,(H,24,28)
InChIKeyZGBUKCGHZRNRNU-UHFFFAOYSA-N
XLogP2.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[(4-fluorophenyl)methyl]-7-phenyl-1,4-thiazepane-4-carboxamide
CID 72720381
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107679
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 142021620
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 91916297) is 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(N(C(=O)C2CC2)C2CCOCC2)CC1.
What is the InChIKey of 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ZGBUKCGHZRNRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c23-18-5-1-16(2-6-18)15-24-22(28)25-11-7-19(8-12-25)26(21(27)17-3-4-17)20-9-13-29-14-10-20/h1-2,5-6,17,19-20H,3-4,7-15H2,(H,24,28).
What are the key properties of 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91916297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).