(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide

C21H35N3O2 — CID 89049413

IUPAC(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide
SMILESC/C=C\C(=C/C(=C/C)C(=O)NCC1CCN(C)CC1)CN1CCOCC1
InChIInChI=1S/C21H35N3O2/c1-4-6-19(17-24-11-13-26-14-12-24)15-20(5-2)21(25)22-16-18-7-9-23(3)10-8-18/h4-6,15,18H,7-14,16-17H2,1-3H3,(H,22,25)/b6-4-,19-15+,20-5-
InChIKeyRTMRBLSSZSQHGL-WOXZQOFISA-N
MW361.53 g/mol
LogP2.23
Rot. Bonds7

About (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide

(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide (PubChem CID 89049413) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide
PubChem CID89049413
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide
SMILESC/C=C\C(=C/C(=C/C)C(=O)NCC1CCN(C)CC1)CN1CCOCC1
InChIInChI=1S/C21H35N3O2/c1-4-6-19(17-24-11-13-26-14-12-24)15-20(5-2)21(25)22-16-18-7-9-23(3)10-8-18/h4-6,15,18H,7-14,16-17H2,1-3H3,(H,22,25)/b6-4-,19-15+,20-5-
InChIKeyRTMRBLSSZSQHGL-WOXZQOFISA-N
XLogP2.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide?
The IUPAC name of (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide (CID 89049413) is (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide.
What is the SMILES notation for (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide?
The canonical SMILES for (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide is C/C=C\C(=C/C(=C/C)C(=O)NCC1CCN(C)CC1)CN1CCOCC1.
What is the InChIKey of (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide?
The InChIKey is RTMRBLSSZSQHGL-WOXZQOFISA-N. The full InChI is InChI=1S/C21H35N3O2/c1-4-6-19(17-24-11-13-26-14-12-24)15-20(5-2)21(25)22-16-18-7-9-23(3)10-8-18/h4-6,15,18H,7-14,16-17H2,1-3H3,(H,22,25)/b6-4-,19-15+,20-5-.
What are the key properties of (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide?
(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide has a molecular weight of 361.53 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide is sourced from PubChem (CID 89049413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).