N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide

C23H28N4O2 — CID 89085320

IUPACN-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide
SMILESC=C/C=c1/cc(-c2cccc(NC(=O)CO)c2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C23H28N4O2/c1-2-4-17-11-18(16-5-3-6-20(12-16)27-23(29)15-28)13-22(21(17)14-24)26-19-7-9-25-10-8-19/h2-6,11-14,19,25-26,28H,1,7-10,15,24H2,(H,27,29)/b17-4-,21-14+
InChIKeyZASNJRKAZRHHPQ-CVFFRUDYSA-N
MW392.50 g/mol
LogP1.11
Rot. Bonds6

About N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide

N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide (PubChem CID 89085320) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide
PubChem CID89085320
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide
SMILESC=C/C=c1/cc(-c2cccc(NC(=O)CO)c2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C23H28N4O2/c1-2-4-17-11-18(16-5-3-6-20(12-16)27-23(29)15-28)13-22(21(17)14-24)26-19-7-9-25-10-8-19/h2-6,11-14,19,25-26,28H,1,7-10,15,24H2,(H,27,29)/b17-4-,21-14+
InChIKeyZASNJRKAZRHHPQ-CVFFRUDYSA-N
XLogP1.11
TPSA99.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5Z,6E)-3-[(1E,3Z)-1-amino-5-chlorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085396
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-2,3-dihydropyridin-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085531
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-[(3-cyclopropylcyclohexyl)amino]phenyl]-2-hydroxyacetamide
CID 84593935
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide
CID 10023999
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide (CID 89085320) is N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide is C=C/C=c1/cc(-c2cccc(NC(=O)CO)c2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide?
The InChIKey is ZASNJRKAZRHHPQ-CVFFRUDYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-4-17-11-18(16-5-3-6-20(12-16)27-23(29)15-28)13-22(21(17)14-24)26-19-7-9-25-10-8-19/h2-6,11-14,19,25-26,28H,1,7-10,15,24H2,(H,27,29)/b17-4-,21-14+.
What are the key properties of N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide?
N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide has a molecular weight of 392.50 g/mol, XLogP of 1.11, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 89085320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).