(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide

C14H20BrN3O — CID 93268970

IUPAC(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H20BrN3O/c1-18(2)13-7-6-10(15)9-12(13)17-14(19)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyZGTNEYRUQGAXFM-LLVKDONJSA-N
MW326.24 g/mol
LogP2.60
Rot. Bonds3

About (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide

(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide (PubChem CID 93268970) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
PubChem CID93268970
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H20BrN3O/c1-18(2)13-7-6-10(15)9-12(13)17-14(19)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyZGTNEYRUQGAXFM-LLVKDONJSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
CID 106739102
N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434603
(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 104913181
N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43701315
N-(4-bromo-2-cyanophenyl)azepane-2-carboxamide
CID 82708278
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66009775
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide (CID 93268970) is (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is ZGTNEYRUQGAXFM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(2)13-7-6-10(15)9-12(13)17-14(19)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 93268970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).