N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide

C17H28N2O — CID 91113108

IUPACN-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide
SMILESC=C(C)C=CC(=CC)N(C(=O)CC)C1(C)CCNCC1
InChIInChI=1S/C17H28N2O/c1-6-15(9-8-14(3)4)19(16(20)7-2)17(5)10-12-18-13-11-17/h6,8-9,18H,3,7,10-13H2,1-2,4-5H3
InChIKeyHPIMUDMAUIBVFU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds5

About N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide

N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide (PubChem CID 91113108) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide
PubChem CID91113108
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide
SMILESC=C(C)C=CC(=CC)N(C(=O)CC)C1(C)CCNCC1
InChIInChI=1S/C17H28N2O/c1-6-15(9-8-14(3)4)19(16(20)7-2)17(5)10-12-18-13-11-17/h6,8-9,18H,3,7,10-13H2,1-2,4-5H3
InChIKeyHPIMUDMAUIBVFU-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide (CID 91113108) is N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide is C=C(C)C=CC(=CC)N(C(=O)CC)C1(C)CCNCC1.
What is the InChIKey of N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide?
The InChIKey is HPIMUDMAUIBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-15(9-8-14(3)4)19(16(20)7-2)17(5)10-12-18-13-11-17/h6,8-9,18H,3,7,10-13H2,1-2,4-5H3.
What are the key properties of N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide?
N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhepta-2,4,6-trien-3-yl)-N-(4-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91113108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).