N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide

C12H22N2O — CID 123696067

IUPACN-(1-propan-2-ylpiperidin-4-yl)but-3-enamide
SMILESC=CCC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-12(15)13-11-6-8-14(9-7-11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyFAAYQPAYUAPKGW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds4

About N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide

N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide (PubChem CID 123696067) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)but-3-enamide
PubChem CID123696067
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)but-3-enamide
SMILESC=CCC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-12(15)13-11-6-8-14(9-7-11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyFAAYQPAYUAPKGW-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-propan-2-ylpiperidin-4-yl)but-3-enamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide (CID 123696067) is N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide is C=CCC(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide?
The InChIKey is FAAYQPAYUAPKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-12(15)13-11-6-8-14(9-7-11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide?
N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)but-3-enamide is sourced from PubChem (CID 123696067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).