N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C18H30N4O2 — CID 84592861

IUPACN-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCOC(CNC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)C
InChIInChI=1S/C18H30N4O2/c1-18(2,3)16(24-4)13-20-17(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h5-8,16H,9-14H2,1-4H3,(H,20,23)
InChIKeyYARKKTGDLSJIEX-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds5

About N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 84592861) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID84592861
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCOC(CNC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)C
InChIInChI=1S/C18H30N4O2/c1-18(2,3)16(24-4)13-20-17(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h5-8,16H,9-14H2,1-4H3,(H,20,23)
InChIKeyYARKKTGDLSJIEX-UHFFFAOYSA-N
XLogP1.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
CID 95905728
N-(3,5-ditert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093259
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
methyl 4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanoate
CID 110709153
(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615298
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 119061910
2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111711156

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 84592861) is N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is COC(CNC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)C.
What is the InChIKey of N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YARKKTGDLSJIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)16(24-4)13-20-17(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h5-8,16H,9-14H2,1-4H3,(H,20,23).
What are the key properties of N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 84592861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).