1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine

C26H40N4 — CID 126516163

IUPAC1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine
SMILESC=C=C(CC1CCN(C2=CC(=C)N(C=C(C)C)C=C2)CC1)N1CCN(C(C)C)CC1
InChIInChI=1S/C26H40N4/c1-7-25(29-16-14-27(15-17-29)22(4)5)19-24-8-11-28(12-9-24)26-10-13-30(20-21(2)3)23(6)18-26/h10,13,18,20,22,24H,1,6,8-9,11-12,14-17,19H2,2-5H3
InChIKeyCHZDZHXYZHFSIJ-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.93
Rot. Bonds6

About 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine

1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine (PubChem CID 126516163) has the molecular formula C26H40N4 and a molecular weight of 408.63 g/mol. Its IUPAC name is 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine
PubChem CID126516163
Molecular FormulaC26H40N4
Molecular Weight408.63 g/mol
Exact Mass408.33
IUPAC Name1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine
SMILESC=C=C(CC1CCN(C2=CC(=C)N(C=C(C)C)C=C2)CC1)N1CCN(C(C)C)CC1
InChIInChI=1S/C26H40N4/c1-7-25(29-16-14-27(15-17-29)22(4)5)19-24-8-11-28(12-9-24)26-10-13-30(20-21(2)3)23(6)18-26/h10,13,18,20,22,24H,1,6,8-9,11-12,14-17,19H2,2-5H3
InChIKeyCHZDZHXYZHFSIJ-UHFFFAOYSA-N
XLogP4.93
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine (CID 126516163) is 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine is C=C=C(CC1CCN(C2=CC(=C)N(C=C(C)C)C=C2)CC1)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is CHZDZHXYZHFSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4/c1-7-25(29-16-14-27(15-17-29)22(4)5)19-24-8-11-28(12-9-24)26-10-13-30(20-21(2)3)23(6)18-26/h10,13,18,20,22,24H,1,6,8-9,11-12,14-17,19H2,2-5H3.
What are the key properties of 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine?
1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 408.63 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 126516163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).