N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide

C14H27N3O — CID 103522748

IUPACN,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
SMILESCC(C)=CCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)5-8-15-13-6-9-17(10-7-13)11-14(18)16(3)4/h5,13,15H,6-11H2,1-4H3
InChIKeyKJNIAAOWVAYXMU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.09
Rot. Bonds5

About N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide (PubChem CID 103522748) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
PubChem CID103522748
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
SMILESCC(C)=CCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)5-8-15-13-6-9-17(10-7-13)11-14(18)16(3)4/h5,13,15H,6-11H2,1-4H3
InChIKeyKJNIAAOWVAYXMU-UHFFFAOYSA-N
XLogP1.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide (CID 103522748) is N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide is CC(C)=CCNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide?
The InChIKey is KJNIAAOWVAYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)5-8-15-13-6-9-17(10-7-13)11-14(18)16(3)4/h5,13,15H,6-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 103522748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).