3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide

C22H30N2O3 — CID 91957980

IUPAC3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2(CN3CCCCC3)CCOCC2)oc2ccccc12
InChIInChI=1S/C22H30N2O3/c1-17-18-7-3-4-8-19(18)27-20(17)21(25)23-15-22(9-13-26-14-10-22)16-24-11-5-2-6-12-24/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,25)
InChIKeyLFFZEQPOJSYFMT-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.75
Rot. Bonds5

About 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide

3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 91957980) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID91957980
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2(CN3CCCCC3)CCOCC2)oc2ccccc12
InChIInChI=1S/C22H30N2O3/c1-17-18-7-3-4-8-19(18)27-20(17)21(25)23-15-22(9-13-26-14-10-22)16-24-11-5-2-6-12-24/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,25)
InChIKeyLFFZEQPOJSYFMT-UHFFFAOYSA-N
XLogP3.75
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 91957682
6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 52984463
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91957431

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 91957980) is 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC2(CN3CCCCC3)CCOCC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LFFZEQPOJSYFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17-18-7-3-4-8-19(18)27-20(17)21(25)23-15-22(9-13-26-14-10-22)16-24-11-5-2-6-12-24/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,25).
What are the key properties of 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91957980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).