N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide

C17H20FN3O — CID 113088169

IUPACN-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCC(c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C17H20FN3O/c18-13-1-4-15-12(9-13)10-16(20-15)11-5-7-21(8-6-11)17(22)19-14-2-3-14/h1,4,9-11,14,20H,2-3,5-8H2,(H,19,22)
InChIKeyXVRZTXBCHOIYHR-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.36
Rot. Bonds2

About N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide

N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide (PubChem CID 113088169) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide
PubChem CID113088169
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCC(c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C17H20FN3O/c18-13-1-4-15-12(9-13)10-16(20-15)11-5-7-21(8-6-11)17(22)19-14-2-3-14/h1,4,9-11,14,20H,2-3,5-8H2,(H,19,22)
InChIKeyXVRZTXBCHOIYHR-UHFFFAOYSA-N
XLogP3.36
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
N-cyclopropyl-2-[4-(1H-indol-2-yl)piperidin-1-yl]propanamide
CID 51097283
5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088184
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 84582617
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide (CID 113088169) is N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide is O=C(NC1CC1)N1CCC(c2cc3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide?
The InChIKey is XVRZTXBCHOIYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-13-1-4-15-12(9-13)10-16(20-15)11-5-7-21(8-6-11)17(22)19-14-2-3-14/h1,4,9-11,14,20H,2-3,5-8H2,(H,19,22).
What are the key properties of N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide?
N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 113088169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).