N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide

C20H26N2O3 — CID 19761205

IUPACN-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)N(C)C1CCN(Cc2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C20H26N2O3/c1-3-6-20(24)21(2)15-9-11-22(12-10-15)14-16-13-18(23)17-7-4-5-8-19(17)25-16/h4-5,7-8,13,15H,3,6,9-12,14H2,1-2H3
InChIKeyQBRLJPPSWNNWQT-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide

N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide (PubChem CID 19761205) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide
PubChem CID19761205
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)N(C)C1CCN(Cc2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C20H26N2O3/c1-3-6-20(24)21(2)15-9-11-22(12-10-15)14-16-13-18(23)17-7-4-5-8-19(17)25-16/h4-5,7-8,13,15H,3,6,9-12,14H2,1-2H3
InChIKeyQBRLJPPSWNNWQT-UHFFFAOYSA-N
XLogP3.02
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide?
The IUPAC name of N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide (CID 19761205) is N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide is CCCC(=O)N(C)C1CCN(Cc2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide?
The InChIKey is QBRLJPPSWNNWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-6-20(24)21(2)15-9-11-22(12-10-15)14-16-13-18(23)17-7-4-5-8-19(17)25-16/h4-5,7-8,13,15H,3,6,9-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide?
N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 19761205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).