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

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

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Related Compounds

N-[[1-(iodomethyl)-2-oxoquinolin-3-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 67404636
N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 3651901
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
N-[(1-methylindol-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 42796301
N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 3277033
N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
CID 42789365
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
CID 91662725
(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 99834856
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338

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).