1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide

C19H24N2O2S — CID 51103447

IUPAC1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C19H24N2O2S/c22-18(14-4-3-10-21(12-14)19(23)13-7-8-13)20-16-9-11-24-17-6-2-1-5-15(16)17/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,20,22)
InChIKeyOBIXBDDXWLNASI-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.99
Rot. Bonds3

About 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide (PubChem CID 51103447) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
PubChem CID51103447
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C19H24N2O2S/c22-18(14-4-3-10-21(12-14)19(23)13-7-8-13)20-16-9-11-24-17-6-2-1-5-15(16)17/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,20,22)
InChIKeyOBIXBDDXWLNASI-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide 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

1-(4-bromophenyl)sulfonyl-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 24603586
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide
CID 9081500
(3R)-1-(cyclopropanecarbonyl)-N-[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]piperidine-3-carboxamide
CID 97259669
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 8891035
1-(2,4-difluorobenzoyl)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide
CID 30443832
3,4-dihydro-2H-thiochromen-4-yl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493125
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
1-(1-acetylpiperidin-4-yl)-3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94156488
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285946

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide (CID 51103447) is 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide is O=C(NC1CCSc2ccccc21)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
The InChIKey is OBIXBDDXWLNASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-18(14-4-3-10-21(12-14)19(23)13-7-8-13)20-16-9-11-24-17-6-2-1-5-15(16)17/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,20,22).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51103447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).