6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one

C15H22N4O3 — CID 126453041

IUPAC6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1cncc(=O)[nH]1)N1CCN(CC2CC2)[C@@H](CCO)C1
InChIInChI=1S/C15H22N4O3/c20-6-3-12-10-19(5-4-18(12)9-11-1-2-11)15(22)13-7-16-8-14(21)17-13/h7-8,11-12,20H,1-6,9-10H2,(H,17,21)/t12-/m0/s1
InChIKeyAMRTUYFLCHSIJE-LBPRGKRZSA-N
MW306.37 g/mol
LogP-0.31
Rot. Bonds5

About 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one

6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 126453041) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID126453041
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1cncc(=O)[nH]1)N1CCN(CC2CC2)[C@@H](CCO)C1
InChIInChI=1S/C15H22N4O3/c20-6-3-12-10-19(5-4-18(12)9-11-1-2-11)15(22)13-7-16-8-14(21)17-13/h7-8,11-12,20H,1-6,9-10H2,(H,17,21)/t12-/m0/s1
InChIKeyAMRTUYFLCHSIJE-LBPRGKRZSA-N
XLogP-0.31
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 91768627
[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 97192875
1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 131929366
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[3-(4-fluorophenyl)phenyl]methanone
CID 118779614
2-[2-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]anilino]acetic acid
CID 50977591
2-[2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]anilino]acetic acid
CID 95140673
1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 91783232
(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 126451762
2-(2-chloro-4-fluorophenyl)-1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 91790650
(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97444820
[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95896526
N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 72904530

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one (CID 126453041) is 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1cncc(=O)[nH]1)N1CCN(CC2CC2)[C@@H](CCO)C1.
What is the InChIKey of 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is AMRTUYFLCHSIJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-6-3-12-10-19(5-4-18(12)9-11-1-2-11)15(22)13-7-16-8-14(21)17-13/h7-8,11-12,20H,1-6,9-10H2,(H,17,21)/t12-/m0/s1.
What are the key properties of 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 306.37 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 126453041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).