1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide

C20H23N3O2 — CID 149302688

IUPAC1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide
SMILESC#CC(=O)N1CCCC(Nc2ccc(C(N)=O)c3c2C(C)=C(C)C3)C1
InChIInChI=1S/C20H23N3O2/c1-4-18(24)23-9-5-6-14(11-23)22-17-8-7-15(20(21)25)16-10-12(2)13(3)19(16)17/h1,7-8,14,22H,5-6,9-11H2,2-3H3,(H2,21,25)
InChIKeyXXBNEZNYBSFCSS-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.17
Rot. Bonds3

About 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide

1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide (PubChem CID 149302688) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide
PubChem CID149302688
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide
SMILESC#CC(=O)N1CCCC(Nc2ccc(C(N)=O)c3c2C(C)=C(C)C3)C1
InChIInChI=1S/C20H23N3O2/c1-4-18(24)23-9-5-6-14(11-23)22-17-8-7-15(20(21)25)16-10-12(2)13(3)19(16)17/h1,7-8,14,22H,5-6,9-11H2,2-3H3,(H2,21,25)
InChIKeyXXBNEZNYBSFCSS-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-7-[(3S)-3-(prop-2-ynoylamino)piperidin-1-yl]-3H-indene-4-carboxamide
CID 146896327
2,3-dimethyl-4-[(1-prop-2-ynoylpyrrolidin-3-yl)amino]-1H-indole-7-carboxamide
CID 121293853
7-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-1,2-dimethyl-3H-indene-4-carboxamide
CID 147779324
2,3-dimethyl-4-[(1-prop-2-ynoylpiperidin-4-yl)amino]-1H-indole-7-carboxamide
CID 121294051
tert-butyl (3R)-3-(2-carbamoyl-4-nitroanilino)piperidine-1-carboxylate
CID 124907561
1-[3-[[6-amino-5-(4-methoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-yn-1-one
CID 123234162
methyl 3-(2-cyano-4-nitroanilino)piperidine-1-carboxylate
CID 133275695
3-[5-[(4-tert-butylbenzoyl)amino]-2-carbamoylanilino]-N-(4-iodophenyl)piperidine-1-carboxamide
CID 171623705
(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 67146632
3-chloro-5-fluoro-2-methyl-4-[(3S)-1-prop-2-ynoylpiperidin-3-yl]-1H-indole-7-carboxamide
CID 168842087
2,3-dimethyl-4-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294112
6-fluoro-1,2-dimethyl-7-[methyl-[(3S)-1-oxaldehydoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
CID 159103268

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide?
The IUPAC name of 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide (CID 149302688) is 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide.
What is the SMILES notation for 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide?
The canonical SMILES for 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide is C#CC(=O)N1CCCC(Nc2ccc(C(N)=O)c3c2C(C)=C(C)C3)C1.
What is the InChIKey of 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide?
The InChIKey is XXBNEZNYBSFCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-18(24)23-9-5-6-14(11-23)22-17-8-7-15(20(21)25)16-10-12(2)13(3)19(16)17/h1,7-8,14,22H,5-6,9-11H2,2-3H3,(H2,21,25).
What are the key properties of 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide?
1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide is sourced from PubChem (CID 149302688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).