1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one

C21H28N6O — CID 31016726

IUPAC1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCc1cnc(CNC2CCN(c3ccc(N4CCN(C)C4=O)cc3)CC2)cn1
InChIInChI=1S/C21H28N6O/c1-16-13-23-18(14-22-16)15-24-17-7-9-26(10-8-17)19-3-5-20(6-4-19)27-12-11-25(2)21(27)28/h3-6,13-14,17,24H,7-12,15H2,1-2H3
InChIKeyFZOYZQCRUGOVBU-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.42
Rot. Bonds5

About 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one

1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one (PubChem CID 31016726) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
PubChem CID31016726
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCc1cnc(CNC2CCN(c3ccc(N4CCN(C)C4=O)cc3)CC2)cn1
InChIInChI=1S/C21H28N6O/c1-16-13-23-18(14-22-16)15-24-17-7-9-26(10-8-17)19-3-5-20(6-4-19)27-12-11-25(2)21(27)28/h3-6,13-14,17,24H,7-12,15H2,1-2H3
InChIKeyFZOYZQCRUGOVBU-UHFFFAOYSA-N
XLogP2.42
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31054711
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
N,N-dimethyl-4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxamide
CID 83261720
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
CID 46982524
4-ethyl-N,N-dimethyl-6-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 72897517
1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 81466069
3-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 64624211
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine
CID 79458123

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one (CID 31016726) is 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one is Cc1cnc(CNC2CCN(c3ccc(N4CCN(C)C4=O)cc3)CC2)cn1.
What is the InChIKey of 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The InChIKey is FZOYZQCRUGOVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-16-13-23-18(14-22-16)15-24-17-7-9-26(10-8-17)19-3-5-20(6-4-19)27-12-11-25(2)21(27)28/h3-6,13-14,17,24H,7-12,15H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one has a molecular weight of 380.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 31016726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).