2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide

C25H32N4O3 — CID 42842421

IUPAC2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c30-23(19-32-22-8-2-1-3-9-22)28-14-16-29(17-15-28)24(21-6-4-5-7-21)25(31)27-18-20-10-12-26-13-11-20/h1-3,8-13,21,24H,4-7,14-19H2,(H,27,31)
InChIKeyNSOSAAYNBLCMRZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.48
Rot. Bonds8

About 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide

2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 42842421) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID42842421
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c30-23(19-32-22-8-2-1-3-9-22)28-14-16-29(17-15-28)24(21-6-4-5-7-21)25(31)27-18-20-10-12-26-13-11-20/h1-3,8-13,21,24H,4-7,14-19H2,(H,27,31)
InChIKeyNSOSAAYNBLCMRZ-UHFFFAOYSA-N
XLogP2.48
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
CID 42842468
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
ethyl 4-[4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 42842419
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 42842453
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-4-ylmethyl)acetamide
CID 93208855
2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 93210382
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46024445
(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide
CID 93209658

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide (CID 42842421) is 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide is O=C(NCc1ccncc1)C(C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NSOSAAYNBLCMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-23(19-32-22-8-2-1-3-9-22)28-14-16-29(17-15-28)24(21-6-4-5-7-21)25(31)27-18-20-10-12-26-13-11-20/h1-3,8-13,21,24H,4-7,14-19H2,(H,27,31).
What are the key properties of 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 42842421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).