4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide

C19H33N5O — CID 122141719

IUPAC4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
SMILESCN1CCN(CC2(C)CCN(C(=O)NCCn3cccc3)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-19(17-23-15-13-21(2)14-16-23)5-10-24(11-6-19)18(25)20-7-12-22-8-3-4-9-22/h3-4,8-9H,5-7,10-17H2,1-2H3,(H,20,25)
InChIKeyJBEXPIVHFRSMQH-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.55
Rot. Bonds5

About 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide

4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 122141719) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
PubChem CID122141719
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
SMILESCN1CCN(CC2(C)CCN(C(=O)NCCn3cccc3)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-19(17-23-15-13-21(2)14-16-23)5-10-24(11-6-19)18(25)20-7-12-22-8-3-4-9-22/h3-4,8-9H,5-7,10-17H2,1-2H3,(H,20,25)
InChIKeyJBEXPIVHFRSMQH-UHFFFAOYSA-N
XLogP1.55
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
CID 122566086
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CID 127854910
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
4-(3-phenylpropyl)-N-(2-pyrrol-1-ylethyl)-1,4-diazepane-1-carboxamide
CID 122556951
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea
CID 75377712
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide
CID 136531373
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 106326529
3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
CID 115661017
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide (CID 122141719) is 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide is CN1CCN(CC2(C)CCN(C(=O)NCCn3cccc3)CC2)CC1.
What is the InChIKey of 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is JBEXPIVHFRSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-19(17-23-15-13-21(2)14-16-23)5-10-24(11-6-19)18(25)20-7-12-22-8-3-4-9-22/h3-4,8-9H,5-7,10-17H2,1-2H3,(H,20,25).
What are the key properties of 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122141719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).