2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one

C12H22N2O — CID 23590696

IUPAC2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
SMILESC=C(C)NCC(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)13-9-11(3)12(15)14-7-5-4-6-8-14/h11,13H,1,4-9H2,2-3H3
InChIKeyNOPBUIUDYFUMEY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one

2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one (PubChem CID 23590696) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
PubChem CID23590696
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
SMILESC=C(C)NCC(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)13-9-11(3)12(15)14-7-5-4-6-8-14/h11,13H,1,4-9H2,2-3H3
InChIKeyNOPBUIUDYFUMEY-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
CID 23590684
1-[3-(1-Aminoethenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 58171885
2-Methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one
CID 58326860
N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
CID 88911258
N-methyl-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 89256625
N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
3-Methyl-1-(3-methylidenepiperazin-1-yl)butan-1-one
CID 89592622
N-(1-but-2-en-2-ylpiperidin-4-yl)butanamide
CID 91212854
2,2-Dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one
CID 117797849
1-[3-(1-Aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one
CID 126658163
1-[4-(Prop-1-en-2-ylamino)piperidin-1-yl]ethanone
CID 143814094
1-methyl-N-prop-1-en-2-ylpiperidine-4-carboxamide
CID 145413386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
The IUPAC name of 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one (CID 23590696) is 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one.
What is the SMILES notation for 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
The canonical SMILES for 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one is C=C(C)NCC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
The InChIKey is NOPBUIUDYFUMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)13-9-11(3)12(15)14-7-5-4-6-8-14/h11,13H,1,4-9H2,2-3H3.
What are the key properties of 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one is sourced from PubChem (CID 23590696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).