2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide

C15H27N3O2 — CID 648075

IUPAC2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)13(19)16-12-6-10-18(11-7-12)14(20)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyGHAOTOKRBIABFN-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.83
Rot. Bonds1

About 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide (PubChem CID 648075) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
PubChem CID648075
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)13(19)16-12-6-10-18(11-7-12)14(20)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyGHAOTOKRBIABFN-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide (CID 648075) is 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide is CC(C)(C)C(=O)NC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is GHAOTOKRBIABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)13(19)16-12-6-10-18(11-7-12)14(20)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 648075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).