1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one

C22H29N5O — CID 31054711

IUPAC1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCN1CCN(c2ccc(N3CCC(NCCc4ccccn4)CC3)cc2)C1=O
InChIInChI=1S/C22H29N5O/c1-25-16-17-27(22(25)28)21-7-5-20(6-8-21)26-14-10-19(11-15-26)24-13-9-18-4-2-3-12-23-18/h2-8,12,19,24H,9-11,13-17H2,1H3
InChIKeyUCEKKMJITMFYJK-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.75
Rot. Bonds6

About 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one

1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one (PubChem CID 31054711) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
PubChem CID31054711
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCN1CCN(c2ccc(N3CCC(NCCc4ccccn4)CC3)cc2)C1=O
InChIInChI=1S/C22H29N5O/c1-25-16-17-27(22(25)28)21-7-5-20(6-8-21)26-14-10-19(11-15-26)24-13-9-18-4-2-3-12-23-18/h2-8,12,19,24H,9-11,13-17H2,1H3
InChIKeyUCEKKMJITMFYJK-UHFFFAOYSA-N
XLogP2.75
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31016726
N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761376
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
2-[(1-methylpiperidin-4-yl)amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 143176576
1-[2-(4-fluorophenyl)ethyl]-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 75382354
1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
CID 46982524
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one (CID 31054711) is 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one is CN1CCN(c2ccc(N3CCC(NCCc4ccccn4)CC3)cc2)C1=O.
What is the InChIKey of 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one?
The InChIKey is UCEKKMJITMFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-25-16-17-27(22(25)28)21-7-5-20(6-8-21)26-14-10-19(11-15-26)24-13-9-18-4-2-3-12-23-18/h2-8,12,19,24H,9-11,13-17H2,1H3.
What are the key properties of 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one?
1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one has a molecular weight of 379.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 31054711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).