1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C24H36N2O — CID 15165807

IUPAC1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC1(C)CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1CN1CCCC1
InChIInChI=1S/C24H36N2O/c1-24(2)12-7-15-26(22(24)18-25-13-5-6-14-25)23(27)17-19-10-11-20-8-3-4-9-21(20)16-19/h10-11,16,22H,3-9,12-15,17-18H2,1-2H3
InChIKeyVMBTYDGLLXFESB-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.22
Rot. Bonds4

About 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 15165807) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID15165807
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC1(C)CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1CN1CCCC1
InChIInChI=1S/C24H36N2O/c1-24(2)12-7-15-26(22(24)18-25-13-5-6-14-25)23(27)17-19-10-11-20-8-3-4-9-21(20)16-19/h10-11,16,22H,3-9,12-15,17-18H2,1-2H3
InChIKeyVMBTYDGLLXFESB-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 15165807) is 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CC1(C)CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1CN1CCCC1.
What is the InChIKey of 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is VMBTYDGLLXFESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-24(2)12-7-15-26(22(24)18-25-13-5-6-14-25)23(27)17-19-10-11-20-8-3-4-9-21(20)16-19/h10-11,16,22H,3-9,12-15,17-18H2,1-2H3.
What are the key properties of 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 368.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 15165807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).