1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one

C24H26N4O2 — CID 172664608

IUPAC1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(-c2cccc3c2CCC3)c(=O)c1C(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C24H26N4O2/c1-16-8-15-28(20-7-3-5-17-4-2-6-19(17)20)24(30)21(16)23(29)27-13-9-18(10-14-27)22-25-11-12-26-22/h3,5,7-8,11-12,15,18H,2,4,6,9-10,13-14H2,1H3,(H,25,26)
InChIKeyVLSSJVJZWNORBQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.38
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one

1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one (PubChem CID 172664608) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one
PubChem CID172664608
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(-c2cccc3c2CCC3)c(=O)c1C(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C24H26N4O2/c1-16-8-15-28(20-7-3-5-17-4-2-6-19(17)20)24(30)21(16)23(29)27-13-9-18(10-14-27)22-25-11-12-26-22/h3,5,7-8,11-12,15,18H,2,4,6,9-10,13-14H2,1H3,(H,25,26)
InChIKeyVLSSJVJZWNORBQ-UHFFFAOYSA-N
XLogP3.38
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one (CID 172664608) is 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one is Cc1ccn(-c2cccc3c2CCC3)c(=O)c1C(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
The InChIKey is VLSSJVJZWNORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-8-15-28(20-7-3-5-17-4-2-6-19(17)20)24(30)21(16)23(29)27-13-9-18(10-14-27)22-25-11-12-26-22/h3,5,7-8,11-12,15,18H,2,4,6,9-10,13-14H2,1H3,(H,25,26).
What are the key properties of 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one is sourced from PubChem (CID 172664608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).