N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C16H20BrN3O3 — CID 55932163

IUPACN-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H20BrN3O3/c17-12-3-4-14(18-10-12)19-15(21)11-5-7-20(8-6-11)16(22)13-2-1-9-23-13/h3-4,10-11,13H,1-2,5-9H2,(H,18,19,21)
InChIKeyFPAIODYMNIPMFO-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.20
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55932163) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID55932163
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H20BrN3O3/c17-12-3-4-14(18-10-12)19-15(21)11-5-7-20(8-6-11)16(22)13-2-1-9-23-13/h3-4,10-11,13H,1-2,5-9H2,(H,18,19,21)
InChIKeyFPAIODYMNIPMFO-UHFFFAOYSA-N
XLogP2.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
CID 55930750
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
N-(5-methyl-2-pyridinyl)-1-(morpholine-2-carbonyl)piperidine-4-carboxamide;dihydrochloride
CID 119855179
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea
CID 108887933

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 55932163) is N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FPAIODYMNIPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c17-12-3-4-14(18-10-12)19-15(21)11-5-7-20(8-6-11)16(22)13-2-1-9-23-13/h3-4,10-11,13H,1-2,5-9H2,(H,18,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55932163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).