N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide

C24H28FN3O2 — CID 91903548

IUPACN-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(CCNC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C24H28FN3O2/c25-20-8-4-5-9-21(20)27-23(30)28-16-11-18(12-17-28)10-15-26-22(29)24(13-14-24)19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,26,29)(H,27,30)
InChIKeyKOANILOQPRHXDE-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.31
Rot. Bonds6

About N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide

N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide (PubChem CID 91903548) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
PubChem CID91903548
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(CCNC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C24H28FN3O2/c25-20-8-4-5-9-21(20)27-23(30)28-16-11-18(12-17-28)10-15-26-22(29)24(13-14-24)19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,26,29)(H,27,30)
InChIKeyKOANILOQPRHXDE-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903717
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 91911279
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 59262523
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide
CID 154875206
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide (CID 91903548) is N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC(CCNC(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
The InChIKey is KOANILOQPRHXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-20-8-4-5-9-21(20)27-23(30)28-16-11-18(12-17-28)10-15-26-22(29)24(13-14-24)19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,26,29)(H,27,30).
What are the key properties of N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).