[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone

C11H14ClN3O — CID 102978397

IUPAC[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C11H14ClN3O/c12-10-6-14-4-3-9(10)11(16)15-5-1-2-8(13)7-15/h3-4,6,8H,1-2,5,7,13H2/t8-/m1/s1
InChIKeyZXFHLLQEDZKCFL-MRVPVSSYSA-N
MW239.71 g/mol
LogP1.30
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone

[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 102978397) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID102978397
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C11H14ClN3O/c12-10-6-14-4-3-9(10)11(16)15-5-1-2-8(13)7-15/h3-4,6,8H,1-2,5,7,13H2/t8-/m1/s1
InChIKeyZXFHLLQEDZKCFL-MRVPVSSYSA-N
XLogP1.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
CID 119378331
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964613
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 102978397) is [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is N[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is ZXFHLLQEDZKCFL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-6-14-4-3-9(10)11(16)15-5-1-2-8(13)7-15/h3-4,6,8H,1-2,5,7,13H2/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone has a molecular weight of 239.71 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 102978397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).