N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide

C13H23N3O2 — CID 146091961

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NCCC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-4-12(17)14-8-5-13(18)16(3)11-6-9-15(2)10-7-11/h4,11H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyXQTIRHQAKIKNOU-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.23
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide (PubChem CID 146091961) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide
PubChem CID146091961
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NCCC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-4-12(17)14-8-5-13(18)16(3)11-6-9-15(2)10-7-11/h4,11H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyXQTIRHQAKIKNOU-UHFFFAOYSA-N
XLogP0.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide
CID 97359753
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
5-cyclohexyl-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 59421574
3-(cyclopropylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 54870177
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 65297852

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide (CID 146091961) is N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide is C=CC(=O)NCCC(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide?
The InChIKey is XQTIRHQAKIKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-12(17)14-8-5-13(18)16(3)11-6-9-15(2)10-7-11/h4,11H,1,5-10H2,2-3H3,(H,14,17).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide has a molecular weight of 253.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 146091961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).