4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

C14H21N3OS — CID 168700085

IUPAC4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C14H21N3OS/c15-11-8-14(18)17(9-11)12-3-5-16(6-4-12)10-13-2-1-7-19-13/h1-2,7,11-12H,3-6,8-10,15H2
InChIKeyDNYUMPZNWQYEEL-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 168700085) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID168700085
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C14H21N3OS/c15-11-8-14(18)17(9-11)12-3-5-16(6-4-12)10-13-2-1-7-19-13/h1-2,7,11-12H,3-6,8-10,15H2
InChIKeyDNYUMPZNWQYEEL-UHFFFAOYSA-N
XLogP1.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
CID 10849452
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
CID 61465092
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (CID 168700085) is 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is NC1CC(=O)N(C2CCN(Cc3cccs3)CC2)C1.
What is the InChIKey of 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is DNYUMPZNWQYEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c15-11-8-14(18)17(9-11)12-3-5-16(6-4-12)10-13-2-1-7-19-13/h1-2,7,11-12H,3-6,8-10,15H2.
What are the key properties of 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 279.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 168700085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).