(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone

C15H24N2OS — CID 120814984

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
SMILESCC(C)c1ccsc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H24N2OS/c1-10(2)11-6-8-19-13(11)14(18)17-7-5-12(16)15(3,4)9-17/h6,8,10,12H,5,7,9,16H2,1-4H3
InChIKeySIMCVQSOAUBHAP-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.07
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone (PubChem CID 120814984) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
PubChem CID120814984
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
SMILESCC(C)c1ccsc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H24N2OS/c1-10(2)11-6-8-19-13(11)14(18)17-7-5-12(16)15(3,4)9-17/h6,8,10,12H,5,7,9,16H2,1-4H3
InChIKeySIMCVQSOAUBHAP-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
CID 97215122
2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride
CID 120818037
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 120815383
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 120814120
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
CID 120816527
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 166250594
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone (CID 120814984) is (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone is CC(C)c1ccsc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone?
The InChIKey is SIMCVQSOAUBHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)11-6-8-19-13(11)14(18)17-7-5-12(16)15(3,4)9-17/h6,8,10,12H,5,7,9,16H2,1-4H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone has a molecular weight of 280.44 g/mol, XLogP of 3.07, 2 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)-(3-propan-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 120814984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).