N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C18H31N5O — CID 51112133

IUPACN,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H31N5O/c1-15(2)12-23(13-16(3)4)18(24)14-21-7-9-22(10-8-21)17-11-19-5-6-20-17/h5-6,11,15-16H,7-10,12-14H2,1-4H3
InChIKeyCVXULVNJRVGZPV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.74
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 51112133) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID51112133
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H31N5O/c1-15(2)12-23(13-16(3)4)18(24)14-21-7-9-22(10-8-21)17-11-19-5-6-20-17/h5-6,11,15-16H,7-10,12-14H2,1-4H3
InChIKeyCVXULVNJRVGZPV-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167957
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 42891215
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146864
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 43061951
N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 51112133) is N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is CC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is CVXULVNJRVGZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-15(2)12-23(13-16(3)4)18(24)14-21-7-9-22(10-8-21)17-11-19-5-6-20-17/h5-6,11,15-16H,7-10,12-14H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 51112133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).