(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C19H22N4O — CID 134034354

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCCc2ccccc21)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22N4O/c24-18(17-8-3-6-15-5-1-2-7-16(15)17)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-2,4-5,7,9-10,17H,3,6,8,11-14H2
InChIKeyIAHPVGHQYACCCO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.25
Rot. Bonds2

About (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 134034354) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID134034354
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCCc2ccccc21)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22N4O/c24-18(17-8-3-6-15-5-1-2-7-16(15)17)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-2,4-5,7,9-10,17H,3,6,8,11-14H2
InChIKeyIAHPVGHQYACCCO-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 56537224
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 97189343
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
(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
(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
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
CID 49062477
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
3-[4-(2,3-dihydro-1H-indene-1-carbonyl)-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
CID 138387660

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 134034354) is (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(C1CCCc2ccccc21)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is IAHPVGHQYACCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18(17-8-3-6-15-5-1-2-7-16(15)17)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-2,4-5,7,9-10,17H,3,6,8,11-14H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 134034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).