N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide

C22H26N2O2 — CID 167919058

IUPACN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide
SMILESCC1Cc2cc(CNC(=O)c3cccc(C4CCCNC4)c3)ccc2O1
InChIInChI=1S/C22H26N2O2/c1-15-10-20-11-16(7-8-21(20)26-15)13-24-22(25)18-5-2-4-17(12-18)19-6-3-9-23-14-19/h2,4-5,7-8,11-12,15,19,23H,3,6,9-10,13-14H2,1H3,(H,24,25)
InChIKeyPKKPEIYTHZKXJS-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.41
Rot. Bonds4

About N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide (PubChem CID 167919058) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide
PubChem CID167919058
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide
SMILESCC1Cc2cc(CNC(=O)c3cccc(C4CCCNC4)c3)ccc2O1
InChIInChI=1S/C22H26N2O2/c1-15-10-20-11-16(7-8-21(20)26-15)13-24-22(25)18-5-2-4-17(12-18)19-6-3-9-23-14-19/h2,4-5,7-8,11-12,15,19,23H,3,6,9-10,13-14H2,1H3,(H,24,25)
InChIKeyPKKPEIYTHZKXJS-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77097142
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide?
The IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide (CID 167919058) is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide?
The canonical SMILES for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide is CC1Cc2cc(CNC(=O)c3cccc(C4CCCNC4)c3)ccc2O1.
What is the InChIKey of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide?
The InChIKey is PKKPEIYTHZKXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-10-20-11-16(7-8-21(20)26-15)13-24-22(25)18-5-2-4-17(12-18)19-6-3-9-23-14-19/h2,4-5,7-8,11-12,15,19,23H,3,6,9-10,13-14H2,1H3,(H,24,25).
What are the key properties of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide?
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide is sourced from PubChem (CID 167919058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).