5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one

C23H26N4O — CID 173248729

IUPAC5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one
SMILESC=C(C=C1C(=O)Nc2ccc(N)cc21)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H26N4O/c1-16(13-21-20-14-18(24)7-10-22(20)26-23(21)28)25-19-8-5-17(6-9-19)15-27-11-3-2-4-12-27/h5-10,13-14,25H,1-4,11-12,15,24H2,(H,26,28)
InChIKeyLMNNMFBDNOPJJE-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.22
Rot. Bonds5

About 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one

5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one (PubChem CID 173248729) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one
PubChem CID173248729
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one
SMILESC=C(C=C1C(=O)Nc2ccc(N)cc21)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H26N4O/c1-16(13-21-20-14-18(24)7-10-22(20)26-23(21)28)25-19-8-5-17(6-9-19)15-27-11-3-2-4-12-27/h5-10,13-14,25H,1-4,11-12,15,24H2,(H,26,28)
InChIKeyLMNNMFBDNOPJJE-UHFFFAOYSA-N
XLogP4.22
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
ethane;N-[(3E)-penta-1,3-dien-2-yl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 142467422
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 146036435
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
CID 6464249

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one?
The IUPAC name of 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one (CID 173248729) is 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one.
What is the SMILES notation for 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one?
The canonical SMILES for 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one is C=C(C=C1C(=O)Nc2ccc(N)cc21)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one?
The InChIKey is LMNNMFBDNOPJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(13-21-20-14-18(24)7-10-22(20)26-23(21)28)25-19-8-5-17(6-9-19)15-27-11-3-2-4-12-27/h5-10,13-14,25H,1-4,11-12,15,24H2,(H,26,28).
What are the key properties of 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one?
5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one has a molecular weight of 374.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-[4-(piperidin-1-ylmethyl)anilino]prop-2-enylidene]-1H-indol-2-one is sourced from PubChem (CID 173248729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).