(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone

C12H17ClN2OS — CID 114267652

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)s2)CCC1N
InChIInChI=1S/C12H17ClN2OS/c1-12(2)7-15(6-5-9(12)14)11(16)8-3-4-10(13)17-8/h3-4,9H,5-7,14H2,1-2H3
InChIKeyYTSFVLUOFMRARQ-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.60
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 114267652) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID114267652
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)s2)CCC1N
InChIInChI=1S/C12H17ClN2OS/c1-12(2)7-15(6-5-9(12)14)11(16)8-3-4-10(13)17-8/h3-4,9H,5-7,14H2,1-2H3
InChIKeyYTSFVLUOFMRARQ-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 115275236
[(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
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 120817281
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120819420
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
CID 120818353
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone (CID 114267652) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)s2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is YTSFVLUOFMRARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-12(2)7-15(6-5-9(12)14)11(16)8-3-4-10(13)17-8/h3-4,9H,5-7,14H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 272.80 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 114267652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).