(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide

C14H24N2O — CID 54923443

IUPAC(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(CCC)C1CCNCC1
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-14(17)16(12-4-2)13-8-10-15-11-9-13/h3,5-7,13,15H,4,8-12H2,1-2H3/b5-3+,7-6+
InChIKeyXWXZWVPCDVUGSO-TWTPFVCWSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds5

About (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide

(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide (PubChem CID 54923443) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
PubChem CID54923443
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(CCC)C1CCNCC1
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-14(17)16(12-4-2)13-8-10-15-11-9-13/h3,5-7,13,15H,4,8-12H2,1-2H3/b5-3+,7-6+
InChIKeyXWXZWVPCDVUGSO-TWTPFVCWSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
CID 76994777
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide
CID 82177259
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid
CID 79896585
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 61403429
(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride
CID 102560206

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide (CID 54923443) is (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide is C/C=C/C=C/C(=O)N(CCC)C1CCNCC1.
What is the InChIKey of (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide?
The InChIKey is XWXZWVPCDVUGSO-TWTPFVCWSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-6-7-14(17)16(12-4-2)13-8-10-15-11-9-13/h3,5-7,13,15H,4,8-12H2,1-2H3/b5-3+,7-6+.
What are the key properties of (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide?
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide has a molecular weight of 236.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide is sourced from PubChem (CID 54923443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).