(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride

C15H20ClN3OS — CID 119376847

IUPAC(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C15H19N3OS.ClH/c16-12-5-8-17(9-6-12)15(19)14-4-1-7-18(14)11-13-3-2-10-20-13;/h1-4,7,10,12H,5-6,8-9,11,16H2;1H
InChIKeySWPUHEQBLXPHAV-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.58
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride (PubChem CID 119376847) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
PubChem CID119376847
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C15H19N3OS.ClH/c16-12-5-8-17(9-6-12)15(19)14-4-1-7-18(14)11-13-3-2-10-20-13;/h1-4,7,10,12H,5-6,8-9,11,16H2;1H
InChIKeySWPUHEQBLXPHAV-UHFFFAOYSA-N
XLogP2.58
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178450
(3R)-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610662
[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 126795760
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one
CID 99818850
4-phenyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxylic acid
CID 119168407
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 95589892
N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55930197
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
N-cyclohexyl-N-methyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55940011
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 95293574
(3S)-3-methyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610385
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-3-yl]piperazin-2-one;hydrochloride
CID 126794872

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride (CID 119376847) is (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2cccn2Cc2cccs2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride?
The InChIKey is SWPUHEQBLXPHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c16-12-5-8-17(9-6-12)15(19)14-4-1-7-18(14)11-13-3-2-10-20-13;/h1-4,7,10,12H,5-6,8-9,11,16H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119376847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).