2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile

C18H32N2O — CID 63161683

IUPAC2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCC(CC)(CC)CC1
InChIInChI=1S/C18H32N2O/c1-5-9-18(15-19,10-6-2)16(21)20-13-11-17(7-3,8-4)12-14-20/h5-14H2,1-4H3
InChIKeyDQPNIBPSDIZABW-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.53
Rot. Bonds7

About 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile

2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile (PubChem CID 63161683) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile
PubChem CID63161683
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCC(CC)(CC)CC1
InChIInChI=1S/C18H32N2O/c1-5-9-18(15-19,10-6-2)16(21)20-13-11-17(7-3,8-4)12-14-20/h5-14H2,1-4H3
InChIKeyDQPNIBPSDIZABW-UHFFFAOYSA-N
XLogP4.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile?
The IUPAC name of 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile (CID 63161683) is 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile.
What is the SMILES notation for 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile?
The canonical SMILES for 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CCC(CC)(CC)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile?
The InChIKey is DQPNIBPSDIZABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-9-18(15-19,10-6-2)16(21)20-13-11-17(7-3,8-4)12-14-20/h5-14H2,1-4H3.
What are the key properties of 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile?
2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile has a molecular weight of 292.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile is sourced from PubChem (CID 63161683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).