(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone

C22H27N3O — CID 56913190

IUPAC(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)ccn1
InChIInChI=1S/C22H27N3O/c1-2-20-15-19(9-10-23-20)22(26)25-13-11-24(12-14-25)21-8-7-17-5-3-4-6-18(17)16-21/h3-6,9-10,15,21H,2,7-8,11-14,16H2,1H3
InChIKeyQPGUWDLBZJCKKR-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.96
Rot. Bonds3

About (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone

(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone (PubChem CID 56913190) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
PubChem CID56913190
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)ccn1
InChIInChI=1S/C22H27N3O/c1-2-20-15-19(9-10-23-20)22(26)25-13-11-24(12-14-25)21-8-7-17-5-3-4-6-18(17)16-21/h3-6,9-10,15,21H,2,7-8,11-14,16H2,1H3
InChIKeyQPGUWDLBZJCKKR-UHFFFAOYSA-N
XLogP2.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylamino)-4-pyridinyl]-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95722811
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709451
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95715309

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone (CID 56913190) is (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)ccn1.
What is the InChIKey of (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
The InChIKey is QPGUWDLBZJCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-20-15-19(9-10-23-20)22(26)25-13-11-24(12-14-25)21-8-7-17-5-3-4-6-18(17)16-21/h3-6,9-10,15,21H,2,7-8,11-14,16H2,1H3.
What are the key properties of (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone?
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56913190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).