3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one

C15H29N3O — CID 142115148

IUPAC3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one
SMILESCC(C)CCN(C)/C=C(\N)CC1CCCN(C)C1=O
InChIInChI=1S/C15H29N3O/c1-12(2)7-9-17(3)11-14(16)10-13-6-5-8-18(4)15(13)19/h11-13H,5-10,16H2,1-4H3/b14-11-
InChIKeyQNSAVMVYGLVCTE-KAMYIIQDSA-N
MW267.42 g/mol
LogP2.02
Rot. Bonds6

About 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one

3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one (PubChem CID 142115148) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one
PubChem CID142115148
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one
SMILESCC(C)CCN(C)/C=C(\N)CC1CCCN(C)C1=O
InChIInChI=1S/C15H29N3O/c1-12(2)7-9-17(3)11-14(16)10-13-6-5-8-18(4)15(13)19/h11-13H,5-10,16H2,1-4H3/b14-11-
InChIKeyQNSAVMVYGLVCTE-KAMYIIQDSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one?
The IUPAC name of 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one (CID 142115148) is 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one?
The canonical SMILES for 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one is CC(C)CCN(C)/C=C(\N)CC1CCCN(C)C1=O.
What is the InChIKey of 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one?
The InChIKey is QNSAVMVYGLVCTE-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)7-9-17(3)11-14(16)10-13-6-5-8-18(4)15(13)19/h11-13H,5-10,16H2,1-4H3/b14-11-.
What are the key properties of 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one?
3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one has a molecular weight of 267.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 142115148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).