6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C16H22Cl2N2O2 — CID 119441288

IUPAC6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1COc2ccc(Cl)cc2C1)C1CCNCC1.Cl
InChIInChI=1S/C16H21ClN2O2.ClH/c1-19(14-4-6-18-7-5-14)16(20)12-8-11-9-13(17)2-3-15(11)21-10-12;/h2-3,9,12,14,18H,4-8,10H2,1H3;1H
InChIKeyFNDSEXXFRHQKJR-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.52
Rot. Bonds2

About 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119441288) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119441288
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1COc2ccc(Cl)cc2C1)C1CCNCC1.Cl
InChIInChI=1S/C16H21ClN2O2.ClH/c1-19(14-4-6-18-7-5-14)16(20)12-8-11-9-13(17)2-3-15(11)21-10-12;/h2-3,9,12,14,18H,4-8,10H2,1H3;1H
InChIKeyFNDSEXXFRHQKJR-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
(2R)-3-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124693416
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63591250
6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55921289
6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120576633
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
(3S)-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 8530328
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 120657795
6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 119459981
(3R)-6-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9090431

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 119441288) is 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is CN(C(=O)C1COc2ccc(Cl)cc2C1)C1CCNCC1.Cl.
What is the InChIKey of 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is FNDSEXXFRHQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c1-19(14-4-6-18-7-5-14)16(20)12-8-11-9-13(17)2-3-15(11)21-10-12;/h2-3,9,12,14,18H,4-8,10H2,1H3;1H.
What are the key properties of 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119441288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).