1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone

C19H28N4O2S — CID 119663709

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
SMILESCc1ccc2nc(CSCC(=O)N3CCC(OCCCN)CC3)cn2c1
InChIInChI=1S/C19H28N4O2S/c1-15-3-4-18-21-16(12-23(18)11-15)13-26-14-19(24)22-8-5-17(6-9-22)25-10-2-7-20/h3-4,11-12,17H,2,5-10,13-14,20H2,1H3
InChIKeySPOFPOZCYWOZDZ-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.23
Rot. Bonds8

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone (PubChem CID 119663709) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
PubChem CID119663709
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
SMILESCc1ccc2nc(CSCC(=O)N3CCC(OCCCN)CC3)cn2c1
InChIInChI=1S/C19H28N4O2S/c1-15-3-4-18-21-16(12-23(18)11-15)13-26-14-19(24)22-8-5-17(6-9-22)25-10-2-7-20/h3-4,11-12,17H,2,5-10,13-14,20H2,1H3
InChIKeySPOFPOZCYWOZDZ-UHFFFAOYSA-N
XLogP2.23
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354011
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 120659724
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119662335
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119662200
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119663051
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79737478
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone;hydrochloride
CID 119662845
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 119663321
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-1-one
CID 119662797
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 119663814
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 119662802
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone (CID 119663709) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone is Cc1ccc2nc(CSCC(=O)N3CCC(OCCCN)CC3)cn2c1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
The InChIKey is SPOFPOZCYWOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-15-3-4-18-21-16(12-23(18)11-15)13-26-14-19(24)22-8-5-17(6-9-22)25-10-2-7-20/h3-4,11-12,17H,2,5-10,13-14,20H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone has a molecular weight of 376.53 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 119663709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).