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

C26H37N3O2 — CID 42842525

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C26H37N3O2/c30-25(27-23-14-6-10-19-7-3-4-13-22(19)23)24(20-8-1-2-9-20)28-15-17-29(18-16-28)26(31)21-11-5-12-21/h3-4,7,13,20-21,23-24H,1-2,5-6,8-12,14-18H2,(H,27,30)
InChIKeyKZLDDWYZNXNOMP-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.68
Rot. Bonds5

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

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 42842525) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID42842525
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C26H37N3O2/c30-25(27-23-14-6-10-19-7-3-4-13-22(19)23)24(20-8-1-2-9-20)28-15-17-29(18-16-28)26(31)21-11-5-12-21/h3-4,7,13,20-21,23-24H,1-2,5-6,8-12,14-18H2,(H,27,30)
InChIKeyKZLDDWYZNXNOMP-UHFFFAOYSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.68
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-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46024335
(2R)-2-cyclopentyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93209207
(2R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 93209246
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42842524
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901128
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
(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-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 42842525) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is KZLDDWYZNXNOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c30-25(27-23-14-6-10-19-7-3-4-13-22(19)23)24(20-8-1-2-9-20)28-15-17-29(18-16-28)26(31)21-11-5-12-21/h3-4,7,13,20-21,23-24H,1-2,5-6,8-12,14-18H2,(H,27,30).
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 423.60 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 42842525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).