[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone

C22H29N5O — CID 131905549

IUPAC[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1ncnc(N2CCN(C3CCN(C(=O)c4ccccc4)CC3)CC2)c1C
InChIInChI=1S/C22H29N5O/c1-17-18(2)23-16-24-21(17)26-14-12-25(13-15-26)20-8-10-27(11-9-20)22(28)19-6-4-3-5-7-19/h3-7,16,20H,8-15H2,1-2H3
InChIKeyASCDQLOUNXYTAW-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.52
Rot. Bonds3

About [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone

[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 131905549) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
PubChem CID131905549
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1ncnc(N2CCN(C3CCN(C(=O)c4ccccc4)CC3)CC2)c1C
InChIInChI=1S/C22H29N5O/c1-17-18(2)23-16-24-21(17)26-14-12-25(13-15-26)20-8-10-27(11-9-20)22(28)19-6-4-3-5-7-19/h3-7,16,20H,8-15H2,1-2H3
InChIKeyASCDQLOUNXYTAW-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131908612
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 72940576
oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369235
(3R)-3-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 125170500
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
[4-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 142654850
(4,6-dimethylpyrimidin-5-yl)-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 91811655
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-4-phenylmethoxybutan-1-one
CID 91797629
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 131897535
6-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80799407

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone (CID 131905549) is [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone is Cc1ncnc(N2CCN(C3CCN(C(=O)c4ccccc4)CC3)CC2)c1C.
What is the InChIKey of [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is ASCDQLOUNXYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-18(2)23-16-24-21(17)26-14-12-25(13-15-26)20-8-10-27(11-9-20)22(28)19-6-4-3-5-7-19/h3-7,16,20H,8-15H2,1-2H3.
What are the key properties of [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 379.51 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 131905549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).