N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

C13H18BrN3O2 — CID 99593327

IUPACN-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](O)C1CCN(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN3O2/c1-9(18)10-4-6-17(7-5-10)13(19)16-12-3-2-11(14)8-15-12/h2-3,8-10,18H,4-7H2,1H3,(H,15,16,19)/t9-/m0/s1
InChIKeyHUCHLZHDDYKCML-VIFPVBQESA-N
MW328.21 g/mol
LogP2.47
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 99593327) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID99593327
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](O)C1CCN(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN3O2/c1-9(18)10-4-6-17(7-5-10)13(19)16-12-3-2-11(14)8-15-12/h2-3,8-10,18H,4-7H2,1H3,(H,15,16,19)/t9-/m0/s1
InChIKeyHUCHLZHDDYKCML-VIFPVBQESA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (CID 99593327) is N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is C[C@H](O)C1CCN(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is HUCHLZHDDYKCML-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-9(18)10-4-6-17(7-5-10)13(19)16-12-3-2-11(14)8-15-12/h2-3,8-10,18H,4-7H2,1H3,(H,15,16,19)/t9-/m0/s1.
What are the key properties of N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99593327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).