(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone

C16H25N3OS — CID 43367365

IUPAC(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
SMILESCCCN1CCc2c(sc(N)c2C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H25N3OS/c1-2-7-18-10-6-12-13(11-18)21-15(17)14(12)16(20)19-8-4-3-5-9-19/h2-11,17H2,1H3
InChIKeyAANGRZAHRVFXGW-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.72
Rot. Bonds3

About (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone

(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone (PubChem CID 43367365) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
PubChem CID43367365
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
SMILESCCCN1CCc2c(sc(N)c2C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H25N3OS/c1-2-7-18-10-6-12-13(11-18)21-15(17)14(12)16(20)19-8-4-3-5-9-19/h2-11,17H2,1H3
InChIKeyAANGRZAHRVFXGW-UHFFFAOYSA-N
XLogP2.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
CID 65354949
methyl 2-amino-6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098115
methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098114
2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 175569883
4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23968037
ethyl 2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 155090726
4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23940879
4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23878249
1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 65354678
(2-aminospiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopentane]-3-yl)-pyrrolidin-1-ylmethanone
CID 114817988
ethyl 2-amino-6-[3-(4-chlorophenyl)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464823
ethyl 2-amino-6-(cyanomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098093

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone (CID 43367365) is (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone is CCCN1CCc2c(sc(N)c2C(=O)N2CCCCC2)C1.
What is the InChIKey of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone?
The InChIKey is AANGRZAHRVFXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-7-18-10-6-12-13(11-18)21-15(17)14(12)16(20)19-8-4-3-5-9-19/h2-11,17H2,1H3.
What are the key properties of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone?
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone has a molecular weight of 307.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 43367365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).