[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C23H39N3O2 — CID 56702732

IUPAC[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)CCCCC1
InChIInChI=1S/C23H39N3O2/c1-23(11-3-2-4-12-23)22(28)26-17-9-20(10-18-26)24-15-7-19(8-16-24)21(27)25-13-5-6-14-25/h19-20H,2-18H2,1H3
InChIKeyVMOVWUFIEDUODG-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.28
Rot. Bonds3

About [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56702732) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56702732
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)CCCCC1
InChIInChI=1S/C23H39N3O2/c1-23(11-3-2-4-12-23)22(28)26-17-9-20(10-18-26)24-15-7-19(8-16-24)21(27)25-13-5-6-14-25/h19-20H,2-18H2,1H3
InChIKeyVMOVWUFIEDUODG-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 56702732) is [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC1(C(=O)N2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)CCCCC1.
What is the InChIKey of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VMOVWUFIEDUODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-23(11-3-2-4-12-23)22(28)26-17-9-20(10-18-26)24-15-7-19(8-16-24)21(27)25-13-5-6-14-25/h19-20H,2-18H2,1H3.
What are the key properties of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 389.58 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56702732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).