3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one

C15H24N4O — CID 80635592

IUPAC3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one
SMILESCC(C)NCc1ccc(N2CCNC(=O)C2(C)C)nc1
InChIInChI=1S/C15H24N4O/c1-11(2)17-9-12-5-6-13(18-10-12)19-8-7-16-14(20)15(19,3)4/h5-6,10-11,17H,7-9H2,1-4H3,(H,16,20)
InChIKeyDOVVMHUCZAYEKF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.29
Rot. Bonds4

About 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one

3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one (PubChem CID 80635592) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one
PubChem CID80635592
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one
SMILESCC(C)NCc1ccc(N2CCNC(=O)C2(C)C)nc1
InChIInChI=1S/C15H24N4O/c1-11(2)17-9-12-5-6-13(18-10-12)19-8-7-16-14(20)15(19,3)4/h5-6,10-11,17H,7-9H2,1-4H3,(H,16,20)
InChIKeyDOVVMHUCZAYEKF-UHFFFAOYSA-N
XLogP1.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one (CID 80635592) is 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one is CC(C)NCc1ccc(N2CCNC(=O)C2(C)C)nc1.
What is the InChIKey of 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one?
The InChIKey is DOVVMHUCZAYEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)17-9-12-5-6-13(18-10-12)19-8-7-16-14(20)15(19,3)4/h5-6,10-11,17H,7-9H2,1-4H3,(H,16,20).
What are the key properties of 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one?
3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 80635592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).