1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride

C21H29ClN4O3 — CID 120630039

IUPAC1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCNCC1.Cl
InChIInChI=1S/C21H28N4O3.ClH/c1-28-15-21(6-8-22-9-7-21)20(27)25-12-10-24(11-13-25)19(26)18-14-16-4-2-3-5-17(16)23-18;/h2-5,14,22-23H,6-13,15H2,1H3;1H
InChIKeyJVNFZIBPOBGLHD-UHFFFAOYSA-N
MW420.94 g/mol
LogP1.89
Rot. Bonds4

About 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride

1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 120630039) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID120630039
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC Name1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCNCC1.Cl
InChIInChI=1S/C21H28N4O3.ClH/c1-28-15-21(6-8-22-9-7-21)20(27)25-12-10-24(11-13-25)19(26)18-14-16-4-2-3-5-17(16)23-18;/h2-5,14,22-23H,6-13,15H2,1H3;1H
InChIKeyJVNFZIBPOBGLHD-UHFFFAOYSA-N
XLogP1.89
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
[4-[4-(methoxymethyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624280
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride (CID 120630039) is 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride is COCC1(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCNCC1.Cl.
What is the InChIKey of 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is JVNFZIBPOBGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.ClH/c1-28-15-21(6-8-22-9-7-21)20(27)25-12-10-24(11-13-25)19(26)18-14-16-4-2-3-5-17(16)23-18;/h2-5,14,22-23H,6-13,15H2,1H3;1H.
What are the key properties of 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride?
1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120630039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).