6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C23H28N2O3 — CID 112821465

IUPAC6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1cccc(CN3CCCCC3)c1)CO2
InChIInChI=1S/C23H28N2O3/c1-27-21-8-9-22-18(14-21)13-19(16-28-22)23(26)24-20-7-5-6-17(12-20)15-25-10-3-2-4-11-25/h5-9,12,14,19H,2-4,10-11,13,15-16H2,1H3,(H,24,26)
InChIKeyCGEJAJHFQIPQQP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.87
Rot. Bonds5

About 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 112821465) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID112821465
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1cccc(CN3CCCCC3)c1)CO2
InChIInChI=1S/C23H28N2O3/c1-27-21-8-9-22-18(14-21)13-19(16-28-22)23(26)24-20-7-5-6-17(12-20)15-25-10-3-2-4-11-25/h5-9,12,14,19H,2-4,10-11,13,15-16H2,1H3,(H,24,26)
InChIKeyCGEJAJHFQIPQQP-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124592184
5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55654534
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
(2S)-2-amino-3-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131950206
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 34455096
6-methoxy-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 139003442
N-[1-(3-benzamidophenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 112824255

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 112821465) is 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1cccc(CN3CCCCC3)c1)CO2.
What is the InChIKey of 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CGEJAJHFQIPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-8-9-22-18(14-21)13-19(16-28-22)23(26)24-20-7-5-6-17(12-20)15-25-10-3-2-4-11-25/h5-9,12,14,19H,2-4,10-11,13,15-16H2,1H3,(H,24,26).
What are the key properties of 6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.87, 5 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-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 112821465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).