N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide

C27H27N3O2 — CID 162657880

IUPACN-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\c1ccc3ccccc3c1)C(=O)N2
InChIInChI=1S/C27H27N3O2/c31-26(12-15-30-13-4-1-5-14-30)28-22-10-11-25-23(18-22)24(27(32)29-25)17-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-18H,1,4-5,12-15H2,(H,28,31)(H,29,32)/b24-17+
InChIKeyICXYZSDBCGLXNA-JJIBRWJFSA-N
MW425.53 g/mol
LogP5.15
Rot. Bonds5

About N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide

N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide (PubChem CID 162657880) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
PubChem CID162657880
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\c1ccc3ccccc3c1)C(=O)N2
InChIInChI=1S/C27H27N3O2/c31-26(12-15-30-13-4-1-5-14-30)28-22-10-11-25-23(18-22)24(27(32)29-25)17-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-18H,1,4-5,12-15H2,(H,28,31)(H,29,32)/b24-17+
InChIKeyICXYZSDBCGLXNA-JJIBRWJFSA-N
XLogP5.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3E)-3-(1-benzothiophen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 177044482
N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 146036435
N-[(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
CID 162649624
3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide
CID 162672252
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
N-[4-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]phenyl]-3-pyrrolidin-1-ylpropanamide
CID 10647988
3-[5-[[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 68655540
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide
CID 53323436
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide (CID 162657880) is N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\c1ccc3ccccc3c1)C(=O)N2.
What is the InChIKey of N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is ICXYZSDBCGLXNA-JJIBRWJFSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-26(12-15-30-13-4-1-5-14-30)28-22-10-11-25-23(18-22)24(27(32)29-25)17-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-18H,1,4-5,12-15H2,(H,28,31)(H,29,32)/b24-17+.
What are the key properties of N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 425.53 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 162657880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).