6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane

C38H74N6 — CID 146549772

IUPAC6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CCN(CC2CCN(C(C)(C)C)CC2)C[C@@H]1CCC(C)(C)N1CC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1C
InChIInChI=1S/C38H74N6/c1-30(2)43-23-22-39(24-32-13-18-41(19-14-32)35(4,5)6)26-34(43)12-17-37(10,11)44-29-38(31(44)3)27-40(28-38)25-33-15-20-42(21-16-33)36(7,8)9/h30-34H,12-29H2,1-11H3/t31?,34-/m0/s1
InChIKeyOHGGIZRIMJWSDN-AEHIRBQFSA-N
MW615.05 g/mol
LogP5.97
Rot. Bonds9

About 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane

6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 146549772) has the molecular formula C38H74N6 and a molecular weight of 615.05 g/mol. Its IUPAC name is 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID146549772
Molecular FormulaC38H74N6
Molecular Weight615.05 g/mol
Exact Mass614.60
IUPAC Name6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CCN(CC2CCN(C(C)(C)C)CC2)C[C@@H]1CCC(C)(C)N1CC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1C
InChIInChI=1S/C38H74N6/c1-30(2)43-23-22-39(24-32-13-18-41(19-14-32)35(4,5)6)26-34(43)12-17-37(10,11)44-29-38(31(44)3)27-40(28-38)25-33-15-20-42(21-16-33)36(7,8)9/h30-34H,12-29H2,1-11H3/t31?,34-/m0/s1
InChIKeyOHGGIZRIMJWSDN-AEHIRBQFSA-N
XLogP5.97
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.05
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane (CID 146549772) is 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane is CC(C)N1CCN(CC2CCN(C(C)(C)C)CC2)C[C@@H]1CCC(C)(C)N1CC2(CN(CC3CCN(C(C)(C)C)CC3)C2)C1C.
What is the InChIKey of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is OHGGIZRIMJWSDN-AEHIRBQFSA-N. The full InChI is InChI=1S/C38H74N6/c1-30(2)43-23-22-39(24-32-13-18-41(19-14-32)35(4,5)6)26-34(43)12-17-37(10,11)44-29-38(31(44)3)27-40(28-38)25-33-15-20-42(21-16-33)36(7,8)9/h30-34H,12-29H2,1-11H3/t31?,34-/m0/s1.
What are the key properties of 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane?
6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 615.05 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 146549772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).