[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone

C16H22N4O — CID 22493231

IUPAC[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1NCC1=NCCN1)N1CCCCC1
InChIInChI=1S/C16H22N4O/c21-16(20-10-4-1-5-11-20)13-6-2-3-7-14(13)19-12-15-17-8-9-18-15/h2-3,6-7,19H,1,4-5,8-12H2,(H,17,18)
InChIKeyCNOGTSVNRSSSOR-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.73
Rot. Bonds4

About [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone

[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone (PubChem CID 22493231) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone
PubChem CID22493231
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1NCC1=NCCN1)N1CCCCC1
InChIInChI=1S/C16H22N4O/c21-16(20-10-4-1-5-11-20)13-6-2-3-7-14(13)19-12-15-17-8-9-18-15/h2-3,6-7,19H,1,4-5,8-12H2,(H,17,18)
InChIKeyCNOGTSVNRSSSOR-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone (CID 22493231) is [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone is O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1.
What is the InChIKey of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
The InChIKey is CNOGTSVNRSSSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(20-10-4-1-5-11-20)13-6-2-3-7-14(13)19-12-15-17-8-9-18-15/h2-3,6-7,19H,1,4-5,8-12H2,(H,17,18).
What are the key properties of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 22493231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).