(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide

C23H30N2O3 — CID 97273438

IUPAC(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc(CN2CCC(CN(C)C(=O)[C@H]3CCc4ccccc4O3)CC2)o1
InChIInChI=1S/C23H30N2O3/c1-17-7-9-20(27-17)16-25-13-11-18(12-14-25)15-24(2)23(26)22-10-8-19-5-3-4-6-21(19)28-22/h3-7,9,18,22H,8,10-16H2,1-2H3/t22-/m1/s1
InChIKeyVXOBQTAEGOZKQP-JOCHJYFZSA-N
MW382.50 g/mol
LogP3.65
Rot. Bonds5

About (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 97273438) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID97273438
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc(CN2CCC(CN(C)C(=O)[C@H]3CCc4ccccc4O3)CC2)o1
InChIInChI=1S/C23H30N2O3/c1-17-7-9-20(27-17)16-25-13-11-18(12-14-25)15-24(2)23(26)22-10-8-19-5-3-4-6-21(19)28-22/h3-7,9,18,22H,8,10-16H2,1-2H3/t22-/m1/s1
InChIKeyVXOBQTAEGOZKQP-JOCHJYFZSA-N
XLogP3.65
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 97273438) is (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc(CN2CCC(CN(C)C(=O)[C@H]3CCc4ccccc4O3)CC2)o1.
What is the InChIKey of (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is VXOBQTAEGOZKQP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-7-9-20(27-17)16-25-13-11-18(12-14-25)15-24(2)23(26)22-10-8-19-5-3-4-6-21(19)28-22/h3-7,9,18,22H,8,10-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 97273438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).