(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide

C16H30N2O — CID 110459787

IUPAC(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
SMILESC/C=C/C(=O)N(C)CCCCCCN1CCCCC1
InChIInChI=1S/C16H30N2O/c1-3-11-16(19)17(2)12-7-4-5-8-13-18-14-9-6-10-15-18/h3,11H,4-10,12-15H2,1-2H3/b11-3+
InChIKeyOYJFMKJZWRMPKQ-QDEBKDIKSA-N
MW266.43 g/mol
LogP3.07
Rot. Bonds8

About (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide

(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide (PubChem CID 110459787) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
PubChem CID110459787
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
SMILESC/C=C/C(=O)N(C)CCCCCCN1CCCCC1
InChIInChI=1S/C16H30N2O/c1-3-11-16(19)17(2)12-7-4-5-8-13-18-14-9-6-10-15-18/h3,11H,4-10,12-15H2,1-2H3/b11-3+
InChIKeyOYJFMKJZWRMPKQ-QDEBKDIKSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-
CID 108247
Piperidine, 1-(1-oxo-2,4-hexadienyl)-
CID 5368937
1-(1-Oxobut-2-enyl)piperidine
CID 5372413
(2E,4E,6E,12E)-1-piperidin-1-yltetradeca-2,4,6,12-tetraen-8,10-diyn-1-one
CID 21681007
1-Piperidin-1-yltetradeca-2,4,6,12-tetraen-8,10-diyn-1-one
CID 73823905
2-Buten-1-one, 2-methyl-1-(1-piperidinyl)-
CID 21118359
(E)-1-piperidin-1-ylnon-2-en-1-one
CID 12575257
1-(1-Piperidinyl)-2-buten-1-one
CID 107435
(E)-4-(dimethylamino)-1-(4-fluoropiperidin-1-yl)but-2-en-1-one
CID 118500968
(E)-4-(dimethylamino)-1-(4-fluoro-3-methylpiperidin-1-yl)but-2-en-1-one
CID 129178331
(E)-4-fluoro-1-piperidin-1-ylbut-2-en-1-one
CID 141408777

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide?
The IUPAC name of (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide (CID 110459787) is (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide is C/C=C/C(=O)N(C)CCCCCCN1CCCCC1.
What is the InChIKey of (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide?
The InChIKey is OYJFMKJZWRMPKQ-QDEBKDIKSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-11-16(19)17(2)12-7-4-5-8-13-18-14-9-6-10-15-18/h3,11H,4-10,12-15H2,1-2H3/b11-3+.
What are the key properties of (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide?
(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide has a molecular weight of 266.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide is sourced from PubChem (CID 110459787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).