1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide

C16H18N2O2S — CID 126203159

IUPAC1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C16H18N2O2S/c17-15(19)11-5-7-18(8-6-11)16(21)13-9-12-3-1-2-4-14(12)20-10-13/h1-4,9,11H,5-8,10H2,(H2,17,19)
InChIKeySPNDEXLDPLWAPT-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.99
Rot. Bonds2

About 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide

1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide (PubChem CID 126203159) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
PubChem CID126203159
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C16H18N2O2S/c17-15(19)11-5-7-18(8-6-11)16(21)13-9-12-3-1-2-4-14(12)20-10-13/h1-4,9,11H,5-8,10H2,(H2,17,19)
InChIKeySPNDEXLDPLWAPT-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110887040
1-(2H-chromene-3-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 86849263
2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118037506
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251080

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide (CID 126203159) is 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=S)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide?
The InChIKey is SPNDEXLDPLWAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15(19)11-5-7-18(8-6-11)16(21)13-9-12-3-1-2-4-14(12)20-10-13/h1-4,9,11H,5-8,10H2,(H2,17,19).
What are the key properties of 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide?
1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide is sourced from PubChem (CID 126203159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).