(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide

C11H15BrN2OS — CID 81134006

IUPAC(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1sccc1Br)[C@H]1CCCNC1
InChIInChI=1S/C11H15BrN2OS/c12-9-3-5-16-10(9)7-14-11(15)8-2-1-4-13-6-8/h3,5,8,13H,1-2,4,6-7H2,(H,14,15)/t8-/m0/s1
InChIKeyXKHPKJNGPCMOMX-QMMMGPOBSA-N
MW303.23 g/mol
LogP2.13
Rot. Bonds3

About (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide

(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 81134006) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
PubChem CID81134006
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1sccc1Br)[C@H]1CCCNC1
InChIInChI=1S/C11H15BrN2OS/c12-9-3-5-16-10(9)7-14-11(15)8-2-1-4-13-6-8/h3,5,8,13H,1-2,4,6-7H2,(H,14,15)/t8-/m0/s1
InChIKeyXKHPKJNGPCMOMX-QMMMGPOBSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
3-amino-N-[(3-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759833
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 126623972
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide
CID 110482453
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[(3-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104917199

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide (CID 81134006) is (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide is O=C(NCc1sccc1Br)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is XKHPKJNGPCMOMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-9-3-5-16-10(9)7-14-11(15)8-2-1-4-13-6-8/h3,5,8,13H,1-2,4,6-7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide?
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81134006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).