2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H30FN3O — CID 136527123

IUPAC2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1CCCN(C2CCCC2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H30FN3O/c21-18-8-6-17(7-9-18)10-11-22-20(25)16-23-12-3-13-24(15-14-23)19-4-1-2-5-19/h6-9,19H,1-5,10-16H2,(H,22,25)
InChIKeyPENGZFNDLDUIPV-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 136527123) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID136527123
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1CCCN(C2CCCC2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H30FN3O/c21-18-8-6-17(7-9-18)10-11-22-20(25)16-23-12-3-13-24(15-14-23)19-4-1-2-5-19/h6-9,19H,1-5,10-16H2,(H,22,25)
InChIKeyPENGZFNDLDUIPV-UHFFFAOYSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
N-[2-(4-fluorophenyl)ethyl]-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137334203
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
2-(4-cyclopentylpiperazin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 62369296
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 146132057
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 136527123) is 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN1CCCN(C2CCCC2)CC1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is PENGZFNDLDUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c21-18-8-6-17(7-9-18)10-11-22-20(25)16-23-12-3-13-24(15-14-23)19-4-1-2-5-19/h6-9,19H,1-5,10-16H2,(H,22,25).
What are the key properties of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 136527123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).