2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C29H37N3O2 — CID 46024335

IUPAC2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H37N3O2/c33-27(21-22-9-2-1-3-10-22)31-17-19-32(20-18-31)28(24-12-4-5-13-24)29(34)30-26-16-8-14-23-11-6-7-15-25(23)26/h1-3,6-7,9-11,15,24,26,28H,4-5,8,12-14,16-21H2,(H,30,34)
InChIKeyNAYOYTIVKBXVNH-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.13
Rot. Bonds6

About 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 46024335) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID46024335
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H37N3O2/c33-27(21-22-9-2-1-3-10-22)31-17-19-32(20-18-31)28(24-12-4-5-13-24)29(34)30-26-16-8-14-23-11-6-7-15-25(23)26/h1-3,6-7,9-11,15,24,26,28H,4-5,8,12-14,16-21H2,(H,30,34)
InChIKeyNAYOYTIVKBXVNH-UHFFFAOYSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46024332
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42842525
(2R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 93209246
(2R)-2-cyclopentyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93209207
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42842524
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
CID 4783472
3-amino-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119674447

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 46024335) is 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is NAYOYTIVKBXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c33-27(21-22-9-2-1-3-10-22)31-17-19-32(20-18-31)28(24-12-4-5-13-24)29(34)30-26-16-8-14-23-11-6-7-15-25(23)26/h1-3,6-7,9-11,15,24,26,28H,4-5,8,12-14,16-21H2,(H,30,34).
What are the key properties of 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 459.63 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 46024335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).