4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one

C16H27N3OS — CID 66432546

IUPAC4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCC(c1cccs1)N(C)C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C16H27N3OS/c1-13(15-7-6-10-21-15)18(2)14(12-17)11-16(20)19-8-4-3-5-9-19/h6-7,10,13-14H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyDHMGHDCCNITBKB-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.47
Rot. Bonds6

About 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one

4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one (PubChem CID 66432546) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
PubChem CID66432546
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCC(c1cccs1)N(C)C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C16H27N3OS/c1-13(15-7-6-10-21-15)18(2)14(12-17)11-16(20)19-8-4-3-5-9-19/h6-7,10,13-14H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyDHMGHDCCNITBKB-UHFFFAOYSA-N
XLogP2.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
CID 66432134
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432322
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one (CID 66432546) is 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one is CC(c1cccs1)N(C)C(CN)CC(=O)N1CCCCC1.
What is the InChIKey of 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one?
The InChIKey is DHMGHDCCNITBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13(15-7-6-10-21-15)18(2)14(12-17)11-16(20)19-8-4-3-5-9-19/h6-7,10,13-14H,3-5,8-9,11-12,17H2,1-2H3.
What are the key properties of 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one?
4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one has a molecular weight of 309.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66432546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).