(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone

C10H13ClN2OS — CID 62276124

IUPAC(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESNC1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)10(14)13-5-3-7(12)4-6-13/h1-2,7H,3-6,12H2
InChIKeyKLOPHIOZUGENKM-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.96
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone

(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 62276124) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID62276124
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESNC1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)10(14)13-5-3-7(12)4-6-13/h1-2,7H,3-6,12H2
InChIKeyKLOPHIOZUGENKM-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
3-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156884
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone (CID 62276124) is (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone is NC1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is KLOPHIOZUGENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)10(14)13-5-3-7(12)4-6-13/h1-2,7H,3-6,12H2.
What are the key properties of (4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 244.75 g/mol, XLogP of 1.96, 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)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 62276124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).