N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide

C22H32FN3O2 — CID 42709623

IUPACN-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide
SMILESCCCCC(=O)N(CCN1CCN(C(=O)C2CC2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C22H32FN3O2/c1-2-3-4-21(27)26(17-18-5-9-20(23)10-6-18)16-13-24-11-14-25(15-12-24)22(28)19-7-8-19/h5-6,9-10,19H,2-4,7-8,11-17H2,1H3
InChIKeyWIQOFFOVJNNHCV-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.90
Rot. Bonds9

About N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide

N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide (PubChem CID 42709623) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide
PubChem CID42709623
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide
SMILESCCCCC(=O)N(CCN1CCN(C(=O)C2CC2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C22H32FN3O2/c1-2-3-4-21(27)26(17-18-5-9-20(23)10-6-18)16-13-24-11-14-25(15-12-24)22(28)19-7-8-19/h5-6,9-10,19H,2-4,7-8,11-17H2,1H3
InChIKeyWIQOFFOVJNNHCV-UHFFFAOYSA-N
XLogP2.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-(4-propanoylpiperazin-1-yl)ethyl]hexanamide
CID 42710183
N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
CID 42709634
N-(2,6-dimethylphenyl)-4-[2-[(4-fluorophenyl)methyl-pentanoylamino]ethyl]piperazine-1-carboxamide
CID 42711009
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710174
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710160
N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42710143
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 3602084
1-[(4-fluorophenyl)methyl]-1-[2-(4-nonanoylpiperazin-1-yl)ethyl]-3-propan-2-ylurea
CID 42709552
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
N-(4-ethylphenyl)-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide
CID 3371076

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide?
The IUPAC name of N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide (CID 42709623) is N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide?
The canonical SMILES for N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide is CCCCC(=O)N(CCN1CCN(C(=O)C2CC2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide?
The InChIKey is WIQOFFOVJNNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-2-3-4-21(27)26(17-18-5-9-20(23)10-6-18)16-13-24-11-14-25(15-12-24)22(28)19-7-8-19/h5-6,9-10,19H,2-4,7-8,11-17H2,1H3.
What are the key properties of N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide?
N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide has a molecular weight of 389.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 42709623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).