[4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride

C19H30ClN3O3S — CID 119662017

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1
InChIInChI=1S/C19H29N3O3S.ClH/c20-9-4-13-25-15-7-11-21(12-8-15)18(23)16-5-1-2-10-22(16)19(24)17-6-3-14-26-17;/h3,6,14-16H,1-2,4-5,7-13,20H2;1H
InChIKeyZFGQGULKPIUODM-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.52
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride (PubChem CID 119662017) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
PubChem CID119662017
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1
InChIInChI=1S/C19H29N3O3S.ClH/c20-9-4-13-25-15-7-11-21(12-8-15)18(23)16-5-1-2-10-22(16)19(24)17-6-3-14-26-17;/h3,6,14-16H,1-2,4-5,7-13,20H2;1H
InChIKeyZFGQGULKPIUODM-UHFFFAOYSA-N
XLogP2.52
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119543284
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119661499
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 24674548
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119593326
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 119662769
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride (CID 119662017) is [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride?
The InChIKey is ZFGQGULKPIUODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c20-9-4-13-25-15-7-11-21(12-8-15)18(23)16-5-1-2-10-22(16)19(24)17-6-3-14-26-17;/h3,6,14-16H,1-2,4-5,7-13,20H2;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119662017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).