N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119825491

IUPACN-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCOc2ccccc21)C1CCNCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-12-20(14-7-10-19-11-8-14)18(21)16-9-13-22-17-6-4-3-5-15(16)17;/h3-6,14,16,19H,2,7-13H2,1H3;1H
InChIKeyRTPKGUISQFTYFZ-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.97
Rot. Bonds4

About N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride

N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride (PubChem CID 119825491) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
PubChem CID119825491
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCOc2ccccc21)C1CCNCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-12-20(14-7-10-19-11-8-14)18(21)16-9-13-22-17-6-4-3-5-15(16)17;/h3-6,14,16,19H,2,7-13H2,1H3;1H
InChIKeyRTPKGUISQFTYFZ-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119825779
N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709229
N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63184213
methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
CID 63237160
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119532564
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride (CID 119825491) is N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride is CCCN(C(=O)C1CCOc2ccccc21)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride?
The InChIKey is RTPKGUISQFTYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-2-12-20(14-7-10-19-11-8-14)18(21)16-9-13-22-17-6-4-3-5-15(16)17;/h3-6,14,16,19H,2,7-13H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride?
N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride is sourced from PubChem (CID 119825491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).