2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate

C22H25N3O4 — CID 10178815

IUPAC2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OC2Cc3ccccc3C2)CC1)c1ccc(O)cn1
InChIInChI=1S/C22H25N3O4/c26-18-5-6-20(23-14-18)21(27)24-13-15-7-9-25(10-8-15)22(28)29-19-11-16-3-1-2-4-17(16)12-19/h1-6,14-15,19,26H,7-13H2,(H,24,27)
InChIKeyCKPTUKYPSBZMEI-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.53
Rot. Bonds4

About 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate

2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10178815) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID10178815
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OC2Cc3ccccc3C2)CC1)c1ccc(O)cn1
InChIInChI=1S/C22H25N3O4/c26-18-5-6-20(23-14-18)21(27)24-13-15-7-9-25(10-8-15)22(28)29-19-11-16-3-1-2-4-17(16)12-19/h1-6,14-15,19,26H,7-13H2,(H,24,27)
InChIKeyCKPTUKYPSBZMEI-UHFFFAOYSA-N
XLogP2.53
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
benzyl 4-[[(6-chloropyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933687
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
benzyl 4-[[[2-(methylamino)pyrimidine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933693
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide
CID 95188805

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 10178815) is 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate is O=C(NCC1CCN(C(=O)OC2Cc3ccccc3C2)CC1)c1ccc(O)cn1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is CKPTUKYPSBZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-18-5-6-20(23-14-18)21(27)24-13-15-7-9-25(10-8-15)22(28)29-19-11-16-3-1-2-4-17(16)12-19/h1-6,14-15,19,26H,7-13H2,(H,24,27).
What are the key properties of 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10178815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).