4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide

C17H34N4O — CID 118688715

IUPAC4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCN(C)C(CNC(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N4O/c1-17(2,3)14-6-8-21(9-7-14)16(22)18-12-15-13-19(4)10-11-20(15)5/h14-15H,6-13H2,1-5H3,(H,18,22)
InChIKeyXFUIUKGFPATKHU-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.70
Rot. Bonds2

About 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide

4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 118688715) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID118688715
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCN(C)C(CNC(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N4O/c1-17(2,3)14-6-8-21(9-7-14)16(22)18-12-15-13-19(4)10-11-20(15)5/h14-15H,6-13H2,1-5H3,(H,18,22)
InChIKeyXFUIUKGFPATKHU-UHFFFAOYSA-N
XLogP1.70
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Tert-butylpiperidin-1-yl)(4-isopropylpiperazin-1-yl)methanone
CID 44418490
4-tert-butyl-N-methyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579548
N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
1-[[(2R,4S,5S)-5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389331
N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 23827661
1-[[(2R,4S,5S)-5-(diethylaminomethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389164
1-propan-2-yl-3-[[(2R,4S,5S)-5-(pyrrolidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 25389237
1-[[(2R,4S,5S)-5-[[methyl(prop-2-ynyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 28991251
1-[[(2R,4S,5S)-5-[(4-methylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 44716393
1-Methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 56827100
3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 86768320

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide (CID 118688715) is 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide is CN1CCN(C)C(CNC(=O)N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XFUIUKGFPATKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-17(2,3)14-6-8-21(9-7-14)16(22)18-12-15-13-19(4)10-11-20(15)5/h14-15H,6-13H2,1-5H3,(H,18,22).
What are the key properties of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide?
4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 118688715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).