2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone

C16H19NO2 — CID 36706766

IUPAC2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C16H19NO2/c1-12-5-4-8-17(10-12)16(18)14-9-13-6-2-3-7-15(13)19-11-14/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3/t12-/m0/s1
InChIKeyKZKAGOXBYBQPCD-LBPRGKRZSA-N
MW257.33 g/mol
LogP2.72
Rot. Bonds1

About 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone

2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 36706766) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID36706766
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C16H19NO2/c1-12-5-4-8-17(10-12)16(18)14-9-13-6-2-3-7-15(13)19-11-14/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3/t12-/m0/s1
InChIKeyKZKAGOXBYBQPCD-LBPRGKRZSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
CID 22578416
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332
[(2S)-4-(2H-chromene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 9393976
2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 33183639
2H-chromen-3-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 9291396
2H-chromen-3-yl-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone
CID 9490267

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone (CID 36706766) is 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1.
What is the InChIKey of 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is KZKAGOXBYBQPCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-4-8-17(10-12)16(18)14-9-13-6-2-3-7-15(13)19-11-14/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone?
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 257.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 36706766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).