[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate

C23H32FN3O3 — CID 24856417

IUPAC[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate
SMILESO=C(Nc1ccc(N2CCCC(OC(=O)N3CCCCC3)C2)c(F)c1)C1CCCC1
InChIInChI=1S/C23H32FN3O3/c24-20-15-18(25-22(28)17-7-2-3-8-17)10-11-21(20)27-14-6-9-19(16-27)30-23(29)26-12-4-1-5-13-26/h10-11,15,17,19H,1-9,12-14,16H2,(H,25,28)
InChIKeyNZXHCXMADZSQLZ-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.55
Rot. Bonds4

About [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate

[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate (PubChem CID 24856417) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate
PubChem CID24856417
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Name[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate
SMILESO=C(Nc1ccc(N2CCCC(OC(=O)N3CCCCC3)C2)c(F)c1)C1CCCC1
InChIInChI=1S/C23H32FN3O3/c24-20-15-18(25-22(28)17-7-2-3-8-17)10-11-21(20)27-14-6-9-19(16-27)30-23(29)26-12-4-1-5-13-26/h10-11,15,17,19H,1-9,12-14,16H2,(H,25,28)
InChIKeyNZXHCXMADZSQLZ-UHFFFAOYSA-N
XLogP4.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(cyclopropanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24857734
[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
CID 24857731
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]cyclohexanecarboxamide;methanol
CID 143229655
methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 146337052
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl 4-[4-[[(2R)-1-aminopyrrolidine-2-carbonyl]amino]-2-fluorophenyl]piperazine-1-carboxylate
CID 70930820

Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate?
The IUPAC name of [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate (CID 24856417) is [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate.
What is the SMILES notation for [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate?
The canonical SMILES for [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate is O=C(Nc1ccc(N2CCCC(OC(=O)N3CCCCC3)C2)c(F)c1)C1CCCC1.
What is the InChIKey of [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate?
The InChIKey is NZXHCXMADZSQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3/c24-20-15-18(25-22(28)17-7-2-3-8-17)10-11-21(20)27-14-6-9-19(16-27)30-23(29)26-12-4-1-5-13-26/h10-11,15,17,19H,1-9,12-14,16H2,(H,25,28).
What are the key properties of [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate?
[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate has a molecular weight of 417.53 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate is sourced from PubChem (CID 24856417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).