(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide

C29H35N3O — CID 44533348

IUPAC(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C29H35N3O/c33-29(16-8-5-13-24-11-3-1-4-12-24)30-19-9-2-10-20-32-21-17-25(18-22-32)27-23-31-28-15-7-6-14-26(27)28/h1,3-8,11-16,23,25,31H,2,9-10,17-22H2,(H,30,33)/b13-5+,16-8+
InChIKeyCGKHVQOMCXGFMS-VMUIEEQSSA-N
MW441.62 g/mol
LogP5.90
Rot. Bonds10

About (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide

(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide (PubChem CID 44533348) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
PubChem CID44533348
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C29H35N3O/c33-29(16-8-5-13-24-11-3-1-4-12-24)30-19-9-2-10-20-32-21-17-25(18-22-32)27-23-31-28-15-7-6-14-26(27)28/h1,3-8,11-16,23,25,31H,2,9-10,17-22H2,(H,30,33)/b13-5+,16-8+
InChIKeyCGKHVQOMCXGFMS-VMUIEEQSSA-N
XLogP5.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.90
H-Bond Donors ≤ 52
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]penta-2,4-dienamide
CID 23046179
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595400
5-(3,5-dichloro-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 54305331
(E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 44533324
(2E,4E)-5-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 10530187
[4-[(1E,3E)-5-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] acetate
CID 10814826
[2-ethoxycarbonyloxy-4-[5-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethylamino]-5-oxopenta-1,3-dienyl]phenyl] ethyl carbonate
CID 54518715
(E)-N-[5-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-3-(4-iodophenyl)prop-2-enamide
CID 44533373
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
(E)-1-[4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 45481005

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide (CID 44533348) is (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide is O=C(/C=C/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide?
The InChIKey is CGKHVQOMCXGFMS-VMUIEEQSSA-N. The full InChI is InChI=1S/C29H35N3O/c33-29(16-8-5-13-24-11-3-1-4-12-24)30-19-9-2-10-20-32-21-17-25(18-22-32)27-23-31-28-15-7-6-14-26(27)28/h1,3-8,11-16,23,25,31H,2,9-10,17-22H2,(H,30,33)/b13-5+,16-8+.
What are the key properties of (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide?
(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide has a molecular weight of 441.62 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 44533348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).