6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide

C16H22N2O3 — CID 119427135

IUPAC6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NC1CCCNC1)CO2
InChIInChI=1S/C16H22N2O3/c1-20-14-4-5-15-11(8-14)7-12(10-21-15)16(19)18-13-3-2-6-17-9-13/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyFAXGVRGBCMPOMZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.11
Rot. Bonds3

About 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 119427135) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID119427135
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NC1CCCNC1)CO2
InChIInChI=1S/C16H22N2O3/c1-20-14-4-5-15-11(8-14)7-12(10-21-15)16(19)18-13-3-2-6-17-9-13/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyFAXGVRGBCMPOMZ-UHFFFAOYSA-N
XLogP1.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119512676
(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99103194
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97121806
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119429326
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
N-piperidin-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 112531038
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide (CID 119427135) is 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)NC1CCCNC1)CO2.
What is the InChIKey of 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FAXGVRGBCMPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-4-5-15-11(8-14)7-12(10-21-15)16(19)18-13-3-2-6-17-9-13/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 119427135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).