7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride

C18H24ClFN4O — CID 162693519

IUPAC7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride
SMILESCN[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCC4)C1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-21-10-4-3-7-23(9-10)17-13(19)8-12(18(20)24)16-15(17)11-5-2-6-14(11)22-16;/h8,10,21-22H,2-7,9H2,1H3,(H2,20,24);1H/t10-;/m0./s1
InChIKeyXCFUNBZMORZZLK-PPHPATTJSA-N
MW366.87 g/mol
LogP2.50
Rot. Bonds3

About 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride

7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride (PubChem CID 162693519) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride
PubChem CID162693519
Molecular FormulaC18H24ClFN4O
Molecular Weight366.87 g/mol
Exact Mass366.16
IUPAC Name7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride
SMILESCN[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCC4)C1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-21-10-4-3-7-23(9-10)17-13(19)8-12(18(20)24)16-15(17)11-5-2-6-14(11)22-16;/h8,10,21-22H,2-7,9H2,1H3,(H2,20,24);1H/t10-;/m0./s1
InChIKeyXCFUNBZMORZZLK-PPHPATTJSA-N
XLogP2.50
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride?
The IUPAC name of 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride (CID 162693519) is 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride.
What is the SMILES notation for 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride?
The canonical SMILES for 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride is CN[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCC4)C1.Cl.
What is the InChIKey of 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride?
The InChIKey is XCFUNBZMORZZLK-PPHPATTJSA-N. The full InChI is InChI=1S/C18H23FN4O.ClH/c1-21-10-4-3-7-23(9-10)17-13(19)8-12(18(20)24)16-15(17)11-5-2-6-14(11)22-16;/h8,10,21-22H,2-7,9H2,1H3,(H2,20,24);1H/t10-;/m0./s1.
What are the key properties of 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride?
7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride is sourced from PubChem (CID 162693519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).