6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

C19H28N2O3 — CID 22578278

IUPAC6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCCCN1CCCCC1)CO2
InChIInChI=1S/C19H28N2O3/c1-23-17-6-7-18-15(13-17)12-16(14-24-18)19(22)20-8-5-11-21-9-3-2-4-10-21/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,20,22)
InChIKeySZBSQUAXDCFJPQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.24
Rot. Bonds6

About 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578278) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578278
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCCCN1CCCCC1)CO2
InChIInChI=1S/C19H28N2O3/c1-23-17-6-7-18-15(13-17)12-16(14-24-18)19(22)20-8-5-11-21-9-3-2-4-10-21/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,20,22)
InChIKeySZBSQUAXDCFJPQ-UHFFFAOYSA-N
XLogP2.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
(3S)-N-[3-(1-adamantyloxy)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713321
N-(2-aminoethyl)-1-(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxamide
CID 119481076
6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112821465
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
(3R)-6-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97120936
(3S)-7-methoxy-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97134116
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578278) is 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)NCCCN1CCCCC1)CO2.
What is the InChIKey of 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SZBSQUAXDCFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-6-7-18-15(13-17)12-16(14-24-18)19(22)20-8-5-11-21-9-3-2-4-10-21/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,20,22).
What are the key properties of 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).