4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine

C35H61N7O — CID 141114840

IUPAC4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine
SMILESC1=CN(C2(N3CCC3)N(C3CCCCC3)C(C3CCCC3)CN(N3CCCCC3)C2(N2CCCC2)N2CCOCC2)CC1
InChIInChI=1S/C35H61N7O/c1-3-16-32(17-4-1)42-33(31-14-5-6-15-31)30-41(40-24-7-2-8-25-40)34(36-18-9-10-19-36,39-26-28-43-29-27-39)35(42,38-22-13-23-38)37-20-11-12-21-37/h11,20,31-33H,1-10,12-19,21-30H2
InChIKeySVJIBCQWSSGDHS-UHFFFAOYSA-N
MW595.92 g/mol
LogP4.56
Rot. Bonds7

About 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine

4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine (PubChem CID 141114840) has the molecular formula C35H61N7O and a molecular weight of 595.92 g/mol. Its IUPAC name is 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine
PubChem CID141114840
Molecular FormulaC35H61N7O
Molecular Weight595.92 g/mol
Exact Mass595.49
IUPAC Name4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine
SMILESC1=CN(C2(N3CCC3)N(C3CCCCC3)C(C3CCCC3)CN(N3CCCCC3)C2(N2CCCC2)N2CCOCC2)CC1
InChIInChI=1S/C35H61N7O/c1-3-16-32(17-4-1)42-33(31-14-5-6-15-31)30-41(40-24-7-2-8-25-40)34(36-18-9-10-19-36,39-26-28-43-29-27-39)35(42,38-22-13-23-38)37-20-11-12-21-37/h11,20,31-33H,1-10,12-19,21-30H2
InChIKeySVJIBCQWSSGDHS-UHFFFAOYSA-N
XLogP4.56
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine?
The IUPAC name of 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine (CID 141114840) is 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine?
The canonical SMILES for 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine is C1=CN(C2(N3CCC3)N(C3CCCCC3)C(C3CCCC3)CN(N3CCCCC3)C2(N2CCCC2)N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine?
The InChIKey is SVJIBCQWSSGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61N7O/c1-3-16-32(17-4-1)42-33(31-14-5-6-15-31)30-41(40-24-7-2-8-25-40)34(36-18-9-10-19-36,39-26-28-43-29-27-39)35(42,38-22-13-23-38)37-20-11-12-21-37/h11,20,31-33H,1-10,12-19,21-30H2.
What are the key properties of 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine?
4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine has a molecular weight of 595.92 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azetidin-1-yl)-4-cyclohexyl-5-cyclopentyl-3-(2,3-dihydropyrrol-1-yl)-1-piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl]morpholine is sourced from PubChem (CID 141114840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).