1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one

C21H23N3O — CID 17380275

IUPAC1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one
SMILESCC1CCCCN1CN1C(=O)/C(=N/c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-16-9-7-8-14-23(16)15-24-19-13-6-5-12-18(19)20(21(24)25)22-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3/b22-20+
InChIKeyKETPYFDQUQLMFA-LSDHQDQOSA-N
MW333.44 g/mol
LogP3.99
Rot. Bonds3

About 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one

1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one (PubChem CID 17380275) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one.

Molecular Properties

Compound Name1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one
PubChem CID17380275
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one
SMILESCC1CCCCN1CN1C(=O)/C(=N/c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-16-9-7-8-14-23(16)15-24-19-13-6-5-12-18(19)20(21(24)25)22-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3/b22-20+
InChIKeyKETPYFDQUQLMFA-LSDHQDQOSA-N
XLogP3.99
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-phenyliminoindol-2-one
CID 23936952
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
3-(4-iodophenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 92517755
1-[(3-methylpiperidin-1-yl)methyl]-3-(4-phenoxyphenyl)iminoindol-2-one
CID 17368137
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
CID 1018072
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
3-(3-bromophenyl)imino-1-[(3-methylpiperidin-1-yl)methyl]indol-2-one
CID 17370095
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
3-(3,4-dimethylphenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 100816750
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 3463607

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
The IUPAC name of 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one (CID 17380275) is 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one.
What is the SMILES notation for 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
The canonical SMILES for 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one is CC1CCCCN1CN1C(=O)/C(=N/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
The InChIKey is KETPYFDQUQLMFA-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-9-7-8-14-23(16)15-24-19-13-6-5-12-18(19)20(21(24)25)22-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3/b22-20+.
What are the key properties of 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one is sourced from PubChem (CID 17380275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).