1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide

C21H30N4O2 — CID 69233352

IUPAC1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CN(C(=O)NC2CCCC2)CCN1
InChIInChI=1S/C21H30N4O2/c26-20(24-18-11-5-7-15-6-1-4-10-17(15)18)19-14-25(13-12-22-19)21(27)23-16-8-2-3-9-16/h1,4,6,10,16,18-19,22H,2-3,5,7-9,11-14H2,(H,23,27)(H,24,26)
InChIKeyRKXULLUGQHNWRF-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.11
Rot. Bonds3

About 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide

1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide (PubChem CID 69233352) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
PubChem CID69233352
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CN(C(=O)NC2CCCC2)CCN1
InChIInChI=1S/C21H30N4O2/c26-20(24-18-11-5-7-15-6-1-4-10-17(15)18)19-14-25(13-12-22-19)21(27)23-16-8-2-3-9-16/h1,4,6,10,16,18-19,22H,2-3,5,7-9,11-14H2,(H,23,27)(H,24,26)
InChIKeyRKXULLUGQHNWRF-UHFFFAOYSA-N
XLogP2.11
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 141153564
2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62318149
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 43652030
(2R,4R)-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 124670344
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75064302
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide (CID 69233352) is 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide is O=C(NC1CCCc2ccccc21)C1CN(C(=O)NC2CCCC2)CCN1.
What is the InChIKey of 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide?
The InChIKey is RKXULLUGQHNWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-20(24-18-11-5-7-15-6-1-4-10-17(15)18)19-14-25(13-12-22-19)21(27)23-16-8-2-3-9-16/h1,4,6,10,16,18-19,22H,2-3,5,7-9,11-14H2,(H,23,27)(H,24,26).
What are the key properties of 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide?
1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide is sourced from PubChem (CID 69233352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).