[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate

C26H32FN5O3 — CID 175431158

IUPAC[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CC(c2ccc(F)cc2)CC1Oc1cnc(C#N)nc1)C1CCCNC1
InChIInChI=1S/C26H32FN5O3/c1-26(2,3)32(20-5-4-10-29-14-20)25(33)35-23-12-18(17-6-8-19(27)9-7-17)11-22(23)34-21-15-30-24(13-28)31-16-21/h6-9,15-16,18,20,22-23,29H,4-5,10-12,14H2,1-3H3
InChIKeyRZRAXTAXYHPPAZ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.17
Rot. Bonds5

About [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate

[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate (PubChem CID 175431158) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Name[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
PubChem CID175431158
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC Name[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CC(c2ccc(F)cc2)CC1Oc1cnc(C#N)nc1)C1CCCNC1
InChIInChI=1S/C26H32FN5O3/c1-26(2,3)32(20-5-4-10-29-14-20)25(33)35-23-12-18(17-6-8-19(27)9-7-17)11-22(23)34-21-15-30-24(13-28)31-16-21/h6-9,15-16,18,20,22-23,29H,4-5,10-12,14H2,1-3H3
InChIKeyRZRAXTAXYHPPAZ-UHFFFAOYSA-N
XLogP4.17
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175137543
tert-butyl-[(3R)-1-[2-(3-cyano-1,2,4-triazol-1-yl)-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl]carbamic acid
CID 175146788
ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
CID 140758794
(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175124712
[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240779
(3-nitro-4-pyridinyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175123042
(4-methoxy-2-nitrophenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175119074
piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate
CID 146240953
tert-butyl N-[5-cyano-6-[4-(1-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-N-piperidin-3-ylcarbamate
CID 118143117
(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate
CID 91283266
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The IUPAC name of [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate (CID 175431158) is [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate.
What is the SMILES notation for [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The canonical SMILES for [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate is CC(C)(C)N(C(=O)OC1CC(c2ccc(F)cc2)CC1Oc1cnc(C#N)nc1)C1CCCNC1.
What is the InChIKey of [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The InChIKey is RZRAXTAXYHPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-26(2,3)32(20-5-4-10-29-14-20)25(33)35-23-12-18(17-6-8-19(27)9-7-17)11-22(23)34-21-15-30-24(13-28)31-16-21/h6-9,15-16,18,20,22-23,29H,4-5,10-12,14H2,1-3H3.
What are the key properties of [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate has a molecular weight of 481.57 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 175431158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).