(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide

C28H37N3O3 — CID 93210382

IUPAC(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
SMILESCc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)COCc3ccccc3)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-22-8-7-11-24(18-22)19-29-28(33)27(25-12-5-6-13-25)31-16-14-30(15-17-31)26(32)21-34-20-23-9-3-2-4-10-23/h2-4,7-11,18,25,27H,5-6,12-17,19-21H2,1H3,(H,29,33)/t27-/m0/s1
InChIKeyXTQAECLCNJPYEF-MHZLTWQESA-N
MW463.62 g/mol
LogP3.53
Rot. Bonds9

About (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide

(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 93210382) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
PubChem CID93210382
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
SMILESCc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)COCc3ccccc3)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-22-8-7-11-24(18-22)19-29-28(33)27(25-12-5-6-13-25)31-16-14-30(15-17-31)26(32)21-34-20-23-9-3-2-4-10-23/h2-4,7-11,18,25,27H,5-6,12-17,19-21H2,1H3,(H,29,33)/t27-/m0/s1
InChIKeyXTQAECLCNJPYEF-MHZLTWQESA-N
XLogP3.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 93210379
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221329
(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
CID 42842468
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide (CID 93210382) is (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide is Cc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)COCc3ccccc3)CC2)c1.
What is the InChIKey of (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is XTQAECLCNJPYEF-MHZLTWQESA-N. The full InChI is InChI=1S/C28H37N3O3/c1-22-8-7-11-24(18-22)19-29-28(33)27(25-12-5-6-13-25)31-16-14-30(15-17-31)26(32)21-34-20-23-9-3-2-4-10-23/h2-4,7-11,18,25,27H,5-6,12-17,19-21H2,1H3,(H,29,33)/t27-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 463.62 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93210382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).