N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

C27H32FN3O4 — CID 34797779

IUPACN-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C27H32FN3O4/c28-21-6-3-19(4-7-21)26(33)29-22-9-13-31(14-10-22)18-25(32)30-27(11-1-2-12-27)20-5-8-23-24(17-20)35-16-15-34-23/h3-8,17,22H,1-2,9-16,18H2,(H,29,33)(H,30,32)
InChIKeyQZANOLYUEXWTJE-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.38
Rot. Bonds6

About N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 34797779) has the molecular formula C27H32FN3O4 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID34797779
Molecular FormulaC27H32FN3O4
Molecular Weight481.57 g/mol
Exact Mass481.24
IUPAC NameN-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C27H32FN3O4/c28-21-6-3-19(4-7-21)26(33)29-22-9-13-31(14-10-22)18-25(32)30-27(11-1-2-12-27)20-5-8-23-24(17-20)35-16-15-34-23/h3-8,17,22H,1-2,9-16,18H2,(H,29,33)(H,30,32)
InChIKeyQZANOLYUEXWTJE-UHFFFAOYSA-N
XLogP3.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60500684
N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34792575
N-[1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 46595245
4-tert-butyl-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445029
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023334
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(6-oxopiperidin-2-yl)acetamide
CID 126801193
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935808
N-[1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 42928010

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (CID 34797779) is N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is QZANOLYUEXWTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4/c28-21-6-3-19(4-7-21)26(33)29-22-9-13-31(14-10-22)18-25(32)30-27(11-1-2-12-27)20-5-8-23-24(17-20)35-16-15-34-23/h3-8,17,22H,1-2,9-16,18H2,(H,29,33)(H,30,32).
What are the key properties of N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 34797779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).