N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C21H30N2O — CID 53283519

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NC3CC4CCC3C4)cc2)CC1
InChIInChI=1S/C21H30N2O/c1-15-8-10-23(11-9-15)14-16-2-5-18(6-3-16)21(24)22-20-13-17-4-7-19(20)12-17/h2-3,5-6,15,17,19-20H,4,7-14H2,1H3,(H,22,24)
InChIKeyFPKFDSDOSGRMBN-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.84
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 53283519) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID53283519
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NC3CC4CCC3C4)cc2)CC1
InChIInChI=1S/C21H30N2O/c1-15-8-10-23(11-9-15)14-16-2-5-18(6-3-16)21(24)22-20-13-17-4-7-19(20)12-17/h2-3,5-6,15,17,19-20H,4,7-14H2,1H3,(H,22,24)
InChIKeyFPKFDSDOSGRMBN-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 99643437
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 124832494
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 125042170
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 53283519) is N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NC3CC4CCC3C4)cc2)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is FPKFDSDOSGRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-15-8-10-23(11-9-15)14-16-2-5-18(6-3-16)21(24)22-20-13-17-4-7-19(20)12-17/h2-3,5-6,15,17,19-20H,4,7-14H2,1H3,(H,22,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 326.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 53283519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).