[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride

C24H29Cl2N3OS — CID 69030902

IUPAC[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCC(c1ccccc1)c1cncc(C(=O)N2CCC(c3ccc(CN)s3)CC2)c1.Cl.Cl
InChIInChI=1S/C24H27N3OS.2ClH/c1-17(18-5-3-2-4-6-18)20-13-21(16-26-15-20)24(28)27-11-9-19(10-12-27)23-8-7-22(14-25)29-23;;/h2-8,13,15-17,19H,9-12,14,25H2,1H3;2*1H
InChIKeyOIHFERIEDSZHJW-UHFFFAOYSA-N
MW478.49 g/mol
LogP5.62
Rot. Bonds5

About [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride

[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 69030902) has the molecular formula C24H29Cl2N3OS and a molecular weight of 478.49 g/mol. Its IUPAC name is [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride
PubChem CID69030902
Molecular FormulaC24H29Cl2N3OS
Molecular Weight478.49 g/mol
Exact Mass477.14
IUPAC Name[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCC(c1ccccc1)c1cncc(C(=O)N2CCC(c3ccc(CN)s3)CC2)c1.Cl.Cl
InChIInChI=1S/C24H27N3OS.2ClH/c1-17(18-5-3-2-4-6-18)20-13-21(16-26-15-20)24(28)27-11-9-19(10-12-27)23-8-7-22(14-25)29-23;;/h2-8,13,15-17,19H,9-12,14,25H2,1H3;2*1H
InChIKeyOIHFERIEDSZHJW-UHFFFAOYSA-N
XLogP5.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone
CID 69030903
3-[1-[5-(1-phenylethyl)pyridine-3-carbonyl]piperidin-4-yl]benzenecarboximidamide;hydrochloride
CID 67192901
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[3-[1-[5-(1-phenylethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 69028913
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 174395737
(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol
CID 171797770
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone
CID 85325965
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 71290322
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858

Frequently Asked Questions

What is the IUPAC name of [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride (CID 69030902) is [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride is CC(c1ccccc1)c1cncc(C(=O)N2CCC(c3ccc(CN)s3)CC2)c1.Cl.Cl.
What is the InChIKey of [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is OIHFERIEDSZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS.2ClH/c1-17(18-5-3-2-4-6-18)20-13-21(16-26-15-20)24(28)27-11-9-19(10-12-27)23-8-7-22(14-25)29-23;;/h2-8,13,15-17,19H,9-12,14,25H2,1H3;2*1H.
What are the key properties of [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride?
[4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 478.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(aminomethyl)thiophen-2-yl]piperidin-1-yl]-[5-(1-phenylethyl)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 69030902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).