1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine

C26H33N5O — CID 164858035

IUPAC1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESCc1cc(N2CCN(Cc3ccccn3)CC2)ccc1-c1cncn1C[C@H]1CCCCO1
InChIInChI=1S/C26H33N5O/c1-21-16-23(30-13-11-29(12-14-30)18-22-6-2-4-10-28-22)8-9-25(21)26-17-27-20-31(26)19-24-7-3-5-15-32-24/h2,4,6,8-10,16-17,20,24H,3,5,7,11-15,18-19H2,1H3/t24-/m1/s1
InChIKeyKWQUTYKDPPQRJA-XMMPIXPASA-N
MW431.58 g/mol
LogP4.14
Rot. Bonds6

About 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine

1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 164858035) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID164858035
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESCc1cc(N2CCN(Cc3ccccn3)CC2)ccc1-c1cncn1C[C@H]1CCCCO1
InChIInChI=1S/C26H33N5O/c1-21-16-23(30-13-11-29(12-14-30)18-22-6-2-4-10-28-22)8-9-25(21)26-17-27-20-31(26)19-24-7-3-5-15-32-24/h2,4,6,8-10,16-17,20,24H,3,5,7,11-15,18-19H2,1H3/t24-/m1/s1
InChIKeyKWQUTYKDPPQRJA-XMMPIXPASA-N
XLogP4.14
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
(4aR,7aS)-4-[[(2S)-oxolan-2-yl]methyl]-6-(pyridin-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377440
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 171327906
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethyl)piperazine-1-carbothioamide
CID 133185637
2-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile
CID 71978279
4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51614940

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine (CID 164858035) is 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine is Cc1cc(N2CCN(Cc3ccccn3)CC2)ccc1-c1cncn1C[C@H]1CCCCO1.
What is the InChIKey of 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is KWQUTYKDPPQRJA-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33N5O/c1-21-16-23(30-13-11-29(12-14-30)18-22-6-2-4-10-28-22)8-9-25(21)26-17-27-20-31(26)19-24-7-3-5-15-32-24/h2,4,6,8-10,16-17,20,24H,3,5,7,11-15,18-19H2,1H3/t24-/m1/s1.
What are the key properties of 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 431.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[3-[[(2R)-oxan-2-yl]methyl]imidazol-4-yl]phenyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 164858035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).