tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate

C25H39FN4O3 — CID 70293452

IUPACtert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate
SMILESCN1CCC(Nc2ncc(F)cc2C(=O)CCC2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C25H39FN4O3/c1-25(2,3)33-24(32)29-19-8-5-17(6-9-19)7-10-22(31)21-15-18(26)16-27-23(21)28-20-11-13-30(4)14-12-20/h15-17,19-20H,5-14H2,1-4H3,(H,27,28)(H,29,32)
InChIKeyDKNUVFDKFHYDNC-UHFFFAOYSA-N
MW462.61 g/mol
LogP4.77
Rot. Bonds7

About tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate

tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate (PubChem CID 70293452) has the molecular formula C25H39FN4O3 and a molecular weight of 462.61 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate
PubChem CID70293452
Molecular FormulaC25H39FN4O3
Molecular Weight462.61 g/mol
Exact Mass462.30
IUPAC Nametert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate
SMILESCN1CCC(Nc2ncc(F)cc2C(=O)CCC2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C25H39FN4O3/c1-25(2,3)33-24(32)29-19-8-5-17(6-9-19)7-10-22(31)21-15-18(26)16-27-23(21)28-20-11-13-30(4)14-12-20/h15-17,19-20H,5-14H2,1-4H3,(H,27,28)(H,29,32)
InChIKeyDKNUVFDKFHYDNC-UHFFFAOYSA-N
XLogP4.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[2-(ethylamino)-5-fluoro-3-pyridinyl]amino]cyclohexyl]carbamate;ethane
CID 145414377
tert-butyl-[4-[[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 66824362
tert-butyl N-[4-[[(2-chloro-5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]carbamate
CID 142991989
3-[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-pyridinyl]propanoic acid
CID 146452028
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 166226334
tert-butyl N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 71632079
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl 3-[5-bromo-2-(cyclopropylamino)-3-pyridinyl]-3-oxopropanoate
CID 175556350
tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate
CID 123685287
tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate
CID 142991783
tert-butyl N-[4-[2-[1-(3,3,3-trifluoropropyl)-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]carbamate
CID 138671859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate (CID 70293452) is tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate is CN1CCC(Nc2ncc(F)cc2C(=O)CCC2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate?
The InChIKey is DKNUVFDKFHYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39FN4O3/c1-25(2,3)33-24(32)29-19-8-5-17(6-9-19)7-10-22(31)21-15-18(26)16-27-23(21)28-20-11-13-30(4)14-12-20/h15-17,19-20H,5-14H2,1-4H3,(H,27,28)(H,29,32).
What are the key properties of tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate?
tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate has a molecular weight of 462.61 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-[5-fluoro-2-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-3-oxopropyl]cyclohexyl]carbamate is sourced from PubChem (CID 70293452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).