N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

C25H36FN3O2 — CID 46024614

IUPACN-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(NCC1CCCCC1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H36FN3O2/c26-22-13-7-6-12-21(22)25(31)29-16-14-28(15-17-29)23(20-10-4-5-11-20)24(30)27-18-19-8-2-1-3-9-19/h6-7,12-13,19-20,23H,1-5,8-11,14-18H2,(H,27,30)
InChIKeyYMFHACJJJTZOOA-UHFFFAOYSA-N
MW429.58 g/mol
LogP3.84
Rot. Bonds6

About N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024614) has the molecular formula C25H36FN3O2 and a molecular weight of 429.58 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024614
Molecular FormulaC25H36FN3O2
Molecular Weight429.58 g/mol
Exact Mass429.28
IUPAC NameN-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(NCC1CCCCC1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H36FN3O2/c26-22-13-7-6-12-21(22)25(31)29-16-14-28(15-17-29)23(20-10-4-5-11-20)24(30)27-18-19-8-2-1-3-9-19/h6-7,12-13,19-20,23H,1-5,8-11,14-18H2,(H,27,30)
InChIKeyYMFHACJJJTZOOA-UHFFFAOYSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210339
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 46024650
(2R)-2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93210434
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 46024614) is N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is O=C(NCC1CCCCC1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is YMFHACJJJTZOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O2/c26-22-13-7-6-12-21(22)25(31)29-16-14-28(15-17-29)23(20-10-4-5-11-20)24(30)27-18-19-8-2-1-3-9-19/h6-7,12-13,19-20,23H,1-5,8-11,14-18H2,(H,27,30).
What are the key properties of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 429.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).