tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate

C21H29FN4O3 — CID 170639735

IUPACtert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c2c1C
InChIInChI=1S/C21H29FN4O3/c1-11-12(2)24-17-14(19(23)27)9-15(22)18(16(11)17)26-8-6-7-13(10-26)25-20(28)29-21(3,4)5/h9,13,24H,6-8,10H2,1-5H3,(H2,23,27)(H,25,28)
InChIKeyGCRXXPHZDRRWJK-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate (PubChem CID 170639735) has the molecular formula C21H29FN4O3 and a molecular weight of 404.49 g/mol. Its IUPAC name is tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate
PubChem CID170639735
Molecular FormulaC21H29FN4O3
Molecular Weight404.49 g/mol
Exact Mass404.22
IUPAC Nametert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c2c1C
InChIInChI=1S/C21H29FN4O3/c1-11-12(2)24-17-14(19(23)27)9-15(22)18(16(11)17)26-8-6-7-13(10-26)25-20(28)29-21(3,4)5/h9,13,24H,6-8,10H2,1-5H3,(H2,23,27)(H,25,28)
InChIKeyGCRXXPHZDRRWJK-UHFFFAOYSA-N
XLogP3.52
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate with MolForge

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Related Compounds

4-[(3S)-3-(but-2-ynoylamino)pyrrolidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294057
4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294146
4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
CID 175877001
7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride
CID 162693519
benzyl N-[(3S)-1-(7-cyano-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate
CID 121300360
benzyl N-[1-(7-cyano-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate
CID 138511741
4-[(4aR,7aR)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid
CID 121294090
[[4-[(3S)-3-aminopiperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carbonyl]amino] but-2-ynoate
CID 153325325
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 165437493
tert-butyl N-[3-(7-carbamoyl-3-fluoro-2-methyl-1H-indol-4-yl)cyclohexyl]carbamate
CID 170781317
5-fluoro-2,3-dimethyl-4-(5-prop-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1H-indole-7-carboxamide
CID 121294038
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate (CID 170639735) is tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate is Cc1[nH]c2c(C(N)=O)cc(F)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c2c1C.
What is the InChIKey of tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate?
The InChIKey is GCRXXPHZDRRWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O3/c1-11-12(2)24-17-14(19(23)27)9-15(22)18(16(11)17)26-8-6-7-13(10-26)25-20(28)29-21(3,4)5/h9,13,24H,6-8,10H2,1-5H3,(H2,23,27)(H,25,28).
What are the key properties of tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate has a molecular weight of 404.49 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 170639735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).