N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

C19H34N6O — CID 94054508

IUPACN-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C
InChIInChI=1S/C19H34N6O/c1-5-23(6-2)17(13-16(3)4)14-22-19(26)25-11-9-24(10-12-25)18-15-20-7-8-21-18/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,22,26)/t17-/m1/s1
InChIKeyBQJQPMMIZFOPET-QGZVFWFLSA-N
MW362.52 g/mol
LogP2.06
Rot. Bonds8

About N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 94054508) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID94054508
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C
InChIInChI=1S/C19H34N6O/c1-5-23(6-2)17(13-16(3)4)14-22-19(26)25-11-9-24(10-12-25)18-15-20-7-8-21-18/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,22,26)/t17-/m1/s1
InChIKeyBQJQPMMIZFOPET-QGZVFWFLSA-N
XLogP2.06
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 47030817
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51075225
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94119889
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
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
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 94054508) is N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is CCN(CC)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C.
What is the InChIKey of N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is BQJQPMMIZFOPET-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34N6O/c1-5-23(6-2)17(13-16(3)4)14-22-19(26)25-11-9-24(10-12-25)18-15-20-7-8-21-18/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,22,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 94054508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).