1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione

C27H36FN5O2 — CID 176563127

IUPAC1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cc2c(cc1N1CCC(=O)NC1=O)c(C1CC1)cn2C1CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C27H36FN5O2/c1-18-14-24-21(15-23(18)32-13-6-25(34)30-26(32)35)22(19-2-3-19)16-33(24)20-4-11-31(12-5-20)17-27(28)7-9-29-10-8-27/h14-16,19-20,29H,2-13,17H2,1H3,(H,30,34,35)
InChIKeyMIWKKZNFHAPQTN-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.00
Rot. Bonds5

About 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione

1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 176563127) has the molecular formula C27H36FN5O2 and a molecular weight of 481.62 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID176563127
Molecular FormulaC27H36FN5O2
Molecular Weight481.62 g/mol
Exact Mass481.29
IUPAC Name1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cc2c(cc1N1CCC(=O)NC1=O)c(C1CC1)cn2C1CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C27H36FN5O2/c1-18-14-24-21(15-23(18)32-13-6-25(34)30-26(32)35)22(19-2-3-19)16-33(24)20-4-11-31(12-5-20)17-27(28)7-9-29-10-8-27/h14-16,19-20,29H,2-13,17H2,1H3,(H,30,34,35)
InChIKeyMIWKKZNFHAPQTN-UHFFFAOYSA-N
XLogP4.00
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561926
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562093
1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione
CID 176561847
1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
CID 176562739
tert-butyl 4-[[4-[3-cyclopropyl-5-(2,4-dioxo-1,3-diazinan-1-yl)pyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176563207
tert-butyl 4-[[4-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176562621
1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen
CID 176562721
1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562820
1-[3-cyclopropyl-1-[1-[[4-fluoro-1-[3-methyl-4-[1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]benzoyl]piperidin-4-yl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176561998
tert-butyl 4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 169195490
tert-butyl 4-[[(3S)-3-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]pyrrolidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176562750

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione (CID 176563127) is 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione is Cc1cc2c(cc1N1CCC(=O)NC1=O)c(C1CC1)cn2C1CCN(CC2(F)CCNCC2)CC1.
What is the InChIKey of 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is MIWKKZNFHAPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN5O2/c1-18-14-24-21(15-23(18)32-13-6-25(34)30-26(32)35)22(19-2-3-19)16-33(24)20-4-11-31(12-5-20)17-27(28)7-9-29-10-8-27/h14-16,19-20,29H,2-13,17H2,1H3,(H,30,34,35).
What are the key properties of 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione?
1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 481.62 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176563127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).