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

C25H35N3O2 — CID 46024332

IUPAC2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H35N3O2/c29-24(26-22-11-5-9-18-6-3-4-10-21(18)22)23(19-7-1-2-8-19)27-14-16-28(17-15-27)25(30)20-12-13-20/h3-4,6,10,19-20,22-23H,1-2,5,7-9,11-17H2,(H,26,29)
InChIKeyRKLXTCHJXNSFHS-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.29
Rot. Bonds5

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

2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 46024332) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID46024332
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H35N3O2/c29-24(26-22-11-5-9-18-6-3-4-10-21(18)22)23(19-7-1-2-8-19)27-14-16-28(17-15-27)25(30)20-12-13-20/h3-4,6,10,19-20,22-23H,1-2,5,7-9,11-17H2,(H,26,29)
InChIKeyRKLXTCHJXNSFHS-UHFFFAOYSA-N
XLogP3.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42842525
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
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 24719963

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 46024332) is 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(NC1CCCc2ccccc21)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is RKLXTCHJXNSFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c29-24(26-22-11-5-9-18-6-3-4-10-21(18)22)23(19-7-1-2-8-19)27-14-16-28(17-15-27)25(30)20-12-13-20/h3-4,6,10,19-20,22-23H,1-2,5,7-9,11-17H2,(H,26,29).
What are the key properties of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 409.57 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 46024332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).