(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone

C27H32F2N4O2 — CID 16739631

IUPAC(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cccnc2)CC1
InChIInChI=1S/C27H32F2N4O2/c1-19(2)31-12-7-22(8-13-31)35-23-5-6-24-20(16-23)17-25(33(24)21-4-3-11-30-18-21)26(34)32-14-9-27(28,29)10-15-32/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3
InChIKeyOEKZELCXAMWKTG-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.15
Rot. Bonds5

About (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone (PubChem CID 16739631) has the molecular formula C27H32F2N4O2 and a molecular weight of 482.58 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone
PubChem CID16739631
Molecular FormulaC27H32F2N4O2
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cccnc2)CC1
InChIInChI=1S/C27H32F2N4O2/c1-19(2)31-12-7-22(8-13-31)35-23-5-6-24-20(16-23)17-25(33(24)21-4-3-11-30-18-21)26(34)32-14-9-27(28,29)10-15-32/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3
InChIKeyOEKZELCXAMWKTG-UHFFFAOYSA-N
XLogP5.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
(1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(4,4-difluoropiperidin-1-yl)methanone
CID 16739525
azepan-1-yl(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 44184899
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600565
Abbv-318
CID 118273623
(5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 44184902
(5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 44184949
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 2809798
5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methyl-N-prop-2-ynylindole-2-carboxamide
CID 76332875

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone (CID 16739631) is (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone is CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cccnc2)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone?
The InChIKey is OEKZELCXAMWKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O2/c1-19(2)31-12-7-22(8-13-31)35-23-5-6-24-20(16-23)17-25(33(24)21-4-3-11-30-18-21)26(34)32-14-9-27(28,29)10-15-32/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone has a molecular weight of 482.58 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1-pyridin-3-ylindol-2-yl]methanone is sourced from PubChem (CID 16739631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).