3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide

C23H25N3O — CID 175912283

IUPAC3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide
SMILESCn1c(C=CC(N)=O)ccc1-c1ccc2cc(N3CCCCC3)ccc2c1
InChIInChI=1S/C23H25N3O/c1-25-20(10-12-23(24)27)9-11-22(25)19-6-5-18-16-21(8-7-17(18)15-19)26-13-3-2-4-14-26/h5-12,15-16H,2-4,13-14H2,1H3,(H2,24,27)
InChIKeyKLZYBJVJFVUINX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.33
Rot. Bonds4

About 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide

3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide (PubChem CID 175912283) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide
PubChem CID175912283
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide
SMILESCn1c(C=CC(N)=O)ccc1-c1ccc2cc(N3CCCCC3)ccc2c1
InChIInChI=1S/C23H25N3O/c1-25-20(10-12-23(24)27)9-11-22(25)19-6-5-18-16-21(8-7-17(18)15-19)26-13-3-2-4-14-26/h5-12,15-16H,2-4,13-14H2,1H3,(H2,24,27)
InChIKeyKLZYBJVJFVUINX-UHFFFAOYSA-N
XLogP4.33
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-cyano-N-(2-methoxyethyl)-2-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]ethenesulfonamide
CID 122682763
(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]prop-2-enamide
CID 153371455
(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877760
(E)-4-(6-pyrrolidin-1-ylnaphthalen-2-yl)but-3-en-2-one
CID 25266481
(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170878130
formamide;1-naphthalen-2-ylpiperidine
CID 175550918
2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol
CID 166536342
1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide
CID 123710620
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
(E)-2-cyano-3-[1-methyl-5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]pyrrol-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]prop-2-enamide
CID 166874338
(E)-1-cyano-2-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122683971
2-cyano-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 123178883

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide?
The IUPAC name of 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide (CID 175912283) is 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide is Cn1c(C=CC(N)=O)ccc1-c1ccc2cc(N3CCCCC3)ccc2c1.
What is the InChIKey of 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide?
The InChIKey is KLZYBJVJFVUINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-25-20(10-12-23(24)27)9-11-22(25)19-6-5-18-16-21(8-7-17(18)15-19)26-13-3-2-4-14-26/h5-12,15-16H,2-4,13-14H2,1H3,(H2,24,27).
What are the key properties of 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide?
3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 175912283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).