1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one

C22H30N4O — CID 129474978

IUPAC1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC[C@@H](NC3CCC(c4ccccc4)CC3)C2)c1=O
InChIInChI=1S/C22H30N4O/c1-25-15-13-23-21(22(25)27)26-14-5-8-20(16-26)24-19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,13,15,18-20,24H,5,8-12,14,16H2,1H3/t18?,19?,20-/m1/s1
InChIKeyPPKNPSYOJJDEOC-SOAGJPPSSA-N
MW366.51 g/mol
LogP3.07
Rot. Bonds4

About 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one

1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one (PubChem CID 129474978) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
PubChem CID129474978
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC[C@@H](NC3CCC(c4ccccc4)CC3)C2)c1=O
InChIInChI=1S/C22H30N4O/c1-25-15-13-23-21(22(25)27)26-14-5-8-20(16-26)24-19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,13,15,18-20,24H,5,8-12,14,16H2,1H3/t18?,19?,20-/m1/s1
InChIKeyPPKNPSYOJJDEOC-SOAGJPPSSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one (CID 129474978) is 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCC[C@@H](NC3CCC(c4ccccc4)CC3)C2)c1=O.
What is the InChIKey of 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is PPKNPSYOJJDEOC-SOAGJPPSSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25-15-13-23-21(22(25)27)26-14-5-8-20(16-26)24-19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,13,15,18-20,24H,5,8-12,14,16H2,1H3/t18?,19?,20-/m1/s1.
What are the key properties of 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 366.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129474978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).