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

C17H34N4O — CID 134434989

IUPAC1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(CN2CCN(C)CC2)CCN(C)CC1
InChIInChI=1S/C17H34N4O/c1-15(2)13-18-16(22)17(5-7-19(3)8-6-17)14-21-11-9-20(4)10-12-21/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyOOODVDDRTZENJY-UHFFFAOYSA-N
MW310.49 g/mol
LogP0.72
Rot. Bonds5

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

1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 134434989) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID134434989
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(CN2CCN(C)CC2)CCN(C)CC1
InChIInChI=1S/C17H34N4O/c1-15(2)13-18-16(22)17(5-7-19(3)8-6-17)14-21-11-9-20(4)10-12-21/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyOOODVDDRTZENJY-UHFFFAOYSA-N
XLogP0.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 142326925
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
1-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971184
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 134557293
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 164854647
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651
N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
CID 137395437
N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
CID 134435220
1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126933
1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide
CID 137395439

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 134434989) is 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1(CN2CCN(C)CC2)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is OOODVDDRTZENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-15(2)13-18-16(22)17(5-7-19(3)8-6-17)14-21-11-9-20(4)10-12-21/h15H,5-14H2,1-4H3,(H,18,22).
What are the key properties of 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 134434989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).