(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H24N2O3 — CID 99103194

IUPAC(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)C2
InChIInChI=1S/C17H24N2O3/c1-19-7-3-4-14(10-19)18-17(20)13-8-12-5-6-15(21-2)9-16(12)22-11-13/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyQAMQHDZULQGTJB-UONOGXRCSA-N
MW304.39 g/mol
LogP1.46
Rot. Bonds3

About (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 99103194) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID99103194
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)C2
InChIInChI=1S/C17H24N2O3/c1-19-7-3-4-14(10-19)18-17(20)13-8-12-5-6-15(21-2)9-16(12)22-11-13/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyQAMQHDZULQGTJB-UONOGXRCSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97121806
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 119427135
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95286989
7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 56806649
7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49195308
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95349952

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 99103194) is (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)C2.
What is the InChIKey of (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QAMQHDZULQGTJB-UONOGXRCSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19-7-3-4-14(10-19)18-17(20)13-8-12-5-6-15(21-2)9-16(12)22-11-13/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 99103194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).