tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate

C19H24BrN3O3 — CID 170794976

IUPACtert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1
InChIInChI=1S/C19H24BrN3O3/c1-19(2,3)26-18(25)21-14-5-4-8-23(11-14)17(24)16-10-12-9-13(20)6-7-15(12)22-16/h6-7,9-10,14,22H,4-5,8,11H2,1-3H3,(H,21,25)
InChIKeyBSBMEKOQZUAPRZ-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.06
Rot. Bonds2

About tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate (PubChem CID 170794976) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate
PubChem CID170794976
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Nametert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1
InChIInChI=1S/C19H24BrN3O3/c1-19(2,3)26-18(25)21-14-5-4-8-23(11-14)17(24)16-10-12-9-13(20)6-7-15(12)22-16/h6-7,9-10,14,22H,4-5,8,11H2,1-3H3,(H,21,25)
InChIKeyBSBMEKOQZUAPRZ-UHFFFAOYSA-N
XLogP4.06
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
tert-butyl N-[(3S)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646626
tert-butyl N-[(3R)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646625
tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
CID 171661894
tert-butyl N-[(3S)-1-[5-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]-1H-indole-2-carbonyl]pyrrolidin-3-yl]carbamate
CID 10257946
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
tert-butyl N-[1-(3-ethynylbenzoyl)piperidin-3-yl]carbamate
CID 170459132
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate
CID 99832684
tert-butyl N-[1-[2-bromo-6-(trifluoromethoxy)benzoyl]piperidin-3-yl]carbamate
CID 171390378
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate (CID 170794976) is tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1.
What is the InChIKey of tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is BSBMEKOQZUAPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-19(2,3)26-18(25)21-14-5-4-8-23(11-14)17(24)16-10-12-9-13(20)6-7-15(12)22-16/h6-7,9-10,14,22H,4-5,8,11H2,1-3H3,(H,21,25).
What are the key properties of tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 422.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 170794976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).