N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide

C23H34N4O2 — CID 42791908

IUPACN-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide
SMILESCN1CCN(CCCN(Cc2cc3ccccc3n2C)C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H34N4O2/c1-24-12-14-26(15-13-24)10-6-11-27(23(28)22-9-5-16-29-22)18-20-17-19-7-3-4-8-21(19)25(20)2/h3-4,7-8,17,22H,5-6,9-16,18H2,1-2H3
InChIKeyLLZJMSPAYBCWGZ-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.32
Rot. Bonds7

About N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide

N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide (PubChem CID 42791908) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide
PubChem CID42791908
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide
SMILESCN1CCN(CCCN(Cc2cc3ccccc3n2C)C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H34N4O2/c1-24-12-14-26(15-13-24)10-6-11-27(23(28)22-9-5-16-29-22)18-20-17-19-7-3-4-8-21(19)25(20)2/h3-4,7-8,17,22H,5-6,9-16,18H2,1-2H3
InChIKeyLLZJMSPAYBCWGZ-UHFFFAOYSA-N
XLogP2.32
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide (CID 42791908) is N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide is CN1CCN(CCCN(Cc2cc3ccccc3n2C)C(=O)C2CCCO2)CC1.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
The InChIKey is LLZJMSPAYBCWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-24-12-14-26(15-13-24)10-6-11-27(23(28)22-9-5-16-29-22)18-20-17-19-7-3-4-8-21(19)25(20)2/h3-4,7-8,17,22H,5-6,9-16,18H2,1-2H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 42791908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).