(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone

C11H14ClN3O — CID 66482030

IUPAC(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
SMILESNC1CCN(C(=O)c2ccncc2Cl)CC1
InChIInChI=1S/C11H14ClN3O/c12-10-7-14-4-1-9(10)11(16)15-5-2-8(13)3-6-15/h1,4,7-8H,2-3,5-6,13H2
InChIKeyUCMSBJVHCXOAAL-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.30
Rot. Bonds1

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

(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone (PubChem CID 66482030) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
PubChem CID66482030
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
SMILESNC1CCN(C(=O)c2ccncc2Cl)CC1
InChIInChI=1S/C11H14ClN3O/c12-10-7-14-4-1-9(10)11(16)15-5-2-8(13)3-6-15/h1,4,7-8H,2-3,5-6,13H2
InChIKeyUCMSBJVHCXOAAL-UHFFFAOYSA-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

[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77135123
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
[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-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81226182
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
1-[1-(3-chloropyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 118793030
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(3-chloro-4-pyridinyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118790896
[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 125178565

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone (CID 66482030) is (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone is NC1CCN(C(=O)c2ccncc2Cl)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone?
The InChIKey is UCMSBJVHCXOAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-7-14-4-1-9(10)11(16)15-5-2-8(13)3-6-15/h1,4,7-8H,2-3,5-6,13H2.
What are the key properties of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone?
(4-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 (4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 66482030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).