(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide

C21H34N4O2 — CID 134188976

IUPAC(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC/C(=C\NCC2CCNCC2)C=C1C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H34N4O2/c1-17-2-3-19(16-23-15-18-4-6-22-7-5-18)14-20(17)21(26)24-8-9-25-10-12-27-13-11-25/h2,14,16,18,22-23H,3-13,15H2,1H3,(H,24,26)/b19-16+
InChIKeyODCJJCYUBSFPSD-KNTRCKAVSA-N
MW374.53 g/mol
LogP1.18
Rot. Bonds7

About (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide

(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 134188976) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide
PubChem CID134188976
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC/C(=C\NCC2CCNCC2)C=C1C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H34N4O2/c1-17-2-3-19(16-23-15-18-4-6-22-7-5-18)14-20(17)21(26)24-8-9-25-10-12-27-13-11-25/h2,14,16,18,22-23H,3-13,15H2,1H3,(H,24,26)/b19-16+
InChIKeyODCJJCYUBSFPSD-KNTRCKAVSA-N
XLogP1.18
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide (CID 134188976) is (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide is CC1=CC/C(=C\NCC2CCNCC2)C=C1C(=O)NCCN1CCOCC1.
What is the InChIKey of (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ODCJJCYUBSFPSD-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17-2-3-19(16-23-15-18-4-6-22-7-5-18)14-20(17)21(26)24-8-9-25-10-12-27-13-11-25/h2,14,16,18,22-23H,3-13,15H2,1H3,(H,24,26)/b19-16+.
What are the key properties of (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide?
(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134188976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).