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

C25H26N4O — CID 56537224

IUPAC[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCCc2ccccc21)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H26N4O/c30-25(22-12-6-10-19-7-4-5-11-21(19)22)29-17-15-28(16-18-29)23-13-14-26-24(27-23)20-8-2-1-3-9-20/h1-5,7-9,11,13-14,22H,6,10,12,15-18H2
InChIKeyZHCONAKFSGUORQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.91
Rot. Bonds3

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

[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 56537224) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID56537224
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCCc2ccccc21)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H26N4O/c30-25(22-12-6-10-19-7-4-5-11-21(19)22)29-17-15-28(16-18-29)23-13-14-26-24(27-23)20-8-2-1-3-9-20/h1-5,7-9,11,13-14,22H,6,10,12,15-18H2
InChIKeyZHCONAKFSGUORQ-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537131
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
(4,4-difluoropiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 139029214
[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537107
(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 94416624
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 97189343
N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
CID 56537176

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 56537224) is [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(C1CCCc2ccccc21)N1CCN(c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is ZHCONAKFSGUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(22-12-6-10-19-7-4-5-11-21(19)22)29-17-15-28(16-18-29)23-13-14-26-24(27-23)20-8-2-1-3-9-20/h1-5,7-9,11,13-14,22H,6,10,12,15-18H2.
What are the key properties of [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 56537224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).