tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate

C26H34N4O3 — CID 66798861

IUPACtert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)33-25(32)28-23-8-7-18-5-6-19(17-22(18)23)24(31)29(4)20-11-15-30(16-12-20)21-9-13-27-14-10-21/h5-6,9-10,13-14,17,20,23H,7-8,11-12,15-16H2,1-4H3,(H,28,32)
InChIKeyYBOUJOQQADAXNG-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.33
Rot. Bonds4

About tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 66798861) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID66798861
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Nametert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)33-25(32)28-23-8-7-18-5-6-19(17-22(18)23)24(31)29(4)20-11-15-30(16-12-20)21-9-13-27-14-10-21/h5-6,9-10,13-14,17,20,23H,7-8,11-12,15-16H2,1-4H3,(H,28,32)
InChIKeyYBOUJOQQADAXNG-UHFFFAOYSA-N
XLogP4.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799010
(3R)-N-methyl-3-(3-methylbutanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799175
(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 174679771
8-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66799083
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 66798596
2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 66798383
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66798989
N-[7-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 56941149
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
(3R)-3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56941586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate (CID 66798861) is tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate is CN(C(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is YBOUJOQQADAXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(2,3)33-25(32)28-23-8-7-18-5-6-19(17-22(18)23)24(31)29(4)20-11-15-30(16-12-20)21-9-13-27-14-10-21/h5-6,9-10,13-14,17,20,23H,7-8,11-12,15-16H2,1-4H3,(H,28,32).
What are the key properties of tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 450.58 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 66798861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).