2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide

C19H24N4O2 — CID 121293825

IUPAC2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
SMILESC=CC(=O)NC1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C19H24N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h4,7-8,13,21H,1,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)
InChIKeyVJHXYTPNEXOSJV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.15
Rot. Bonds4

About 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide

2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide (PubChem CID 121293825) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
PubChem CID121293825
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
SMILESC=CC(=O)NC1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C19H24N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h4,7-8,13,21H,1,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)
InChIKeyVJHXYTPNEXOSJV-UHFFFAOYSA-N
XLogP2.15
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide (CID 121293825) is 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide is C=CC(=O)NC1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1.
What is the InChIKey of 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
The InChIKey is VJHXYTPNEXOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h4,7-8,13,21H,1,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24).
What are the key properties of 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).