1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one

C28H35N3O2 — CID 158956639

IUPAC1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one
SMILESCN1CCN(CCCC(=O)Cc2cc(Cc3c[nH]c4ccccc34)cc(OC3CC3)c2)CC1
InChIInChI=1S/C28H35N3O2/c1-30-11-13-31(14-12-30)10-4-5-24(32)17-22-15-21(18-26(19-22)33-25-8-9-25)16-23-20-29-28-7-3-2-6-27(23)28/h2-3,6-7,15,18-20,25,29H,4-5,8-14,16-17H2,1H3
InChIKeyWNDKTWOKNSGGCE-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.44
Rot. Bonds10

About 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one

1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one (PubChem CID 158956639) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one
PubChem CID158956639
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one
SMILESCN1CCN(CCCC(=O)Cc2cc(Cc3c[nH]c4ccccc34)cc(OC3CC3)c2)CC1
InChIInChI=1S/C28H35N3O2/c1-30-11-13-31(14-12-30)10-4-5-24(32)17-22-15-21(18-26(19-22)33-25-8-9-25)16-23-20-29-28-7-3-2-6-27(23)28/h2-3,6-7,15,18-20,25,29H,4-5,8-14,16-17H2,1H3
InChIKeyWNDKTWOKNSGGCE-UHFFFAOYSA-N
XLogP4.44
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one with MolForge

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Related Compounds

[3-butyl-5-(1H-indol-3-ylmethoxy)phenyl] 4-piperazin-1-ylbutanoate
CID 147070708
N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 71813992
1-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 71761616
3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 21428727
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole
CID 170864334
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444870

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one?
The IUPAC name of 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one (CID 158956639) is 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one.
What is the SMILES notation for 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one?
The canonical SMILES for 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one is CN1CCN(CCCC(=O)Cc2cc(Cc3c[nH]c4ccccc34)cc(OC3CC3)c2)CC1.
What is the InChIKey of 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one?
The InChIKey is WNDKTWOKNSGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-30-11-13-31(14-12-30)10-4-5-24(32)17-22-15-21(18-26(19-22)33-25-8-9-25)16-23-20-29-28-7-3-2-6-27(23)28/h2-3,6-7,15,18-20,25,29H,4-5,8-14,16-17H2,1H3.
What are the key properties of 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one?
1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one has a molecular weight of 445.61 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyloxy-5-(1H-indol-3-ylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one is sourced from PubChem (CID 158956639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).