(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide

C26H40N4O4 — CID 93210790

IUPAC(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
SMILESO=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C26H40N4O4/c31-24(21-34-23-9-2-1-3-10-23)29-13-15-30(16-14-29)25(22-7-4-5-8-22)26(32)27-11-6-12-28-17-19-33-20-18-28/h1-3,9-10,22,25H,4-8,11-21H2,(H,27,32)/t25-/m1/s1
InChIKeyNXJKPNYVYPTICI-RUZDIDTESA-N
MW472.63 g/mol
LogP1.61
Rot. Bonds10

About (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide

(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 93210790) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
PubChem CID93210790
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC Name(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
SMILESO=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C26H40N4O4/c31-24(21-34-23-9-2-1-3-10-23)29-13-15-30(16-14-29)25(22-7-4-5-8-22)26(32)27-11-6-12-28-17-19-33-20-18-28/h1-3,9-10,22,25H,4-8,11-21H2,(H,27,32)/t25-/m1/s1
InChIKeyNXJKPNYVYPTICI-RUZDIDTESA-N
XLogP1.61
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 46027346
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024760
N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
CID 42842468
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209748
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 42842453
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide (CID 93210790) is (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide is O=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is NXJKPNYVYPTICI-RUZDIDTESA-N. The full InChI is InChI=1S/C26H40N4O4/c31-24(21-34-23-9-2-1-3-10-23)29-13-15-30(16-14-29)25(22-7-4-5-8-22)26(32)27-11-6-12-28-17-19-33-20-18-28/h1-3,9-10,22,25H,4-8,11-21H2,(H,27,32)/t25-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 472.63 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93210790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).