2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide

C20H39N3O — CID 170184790

IUPAC2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)N(C(C)C)C1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O/c1-15(2)20(24)23(17(5)6)19-9-13-22(14-10-19)18-7-11-21(12-8-18)16(3)4/h15-19H,7-14H2,1-6H3
InChIKeyKZULCVGVGGIGHO-UHFFFAOYSA-N
MW337.55 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide

2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide (PubChem CID 170184790) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide
PubChem CID170184790
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)N(C(C)C)C1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O/c1-15(2)20(24)23(17(5)6)19-9-13-22(14-10-19)18-7-11-21(12-8-18)16(3)4/h15-19H,7-14H2,1-6H3
InChIKeyKZULCVGVGGIGHO-UHFFFAOYSA-N
XLogP3.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide (CID 170184790) is 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide is CC(C)C(=O)N(C(C)C)C1CCN(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is KZULCVGVGGIGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-15(2)20(24)23(17(5)6)19-9-13-22(14-10-19)18-7-11-21(12-8-18)16(3)4/h15-19H,7-14H2,1-6H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide?
2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 337.55 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 170184790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).