2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide

C20H25N3O2 — CID 95222271

IUPAC2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C20H25N3O2/c1-25-19-7-3-2-6-18(19)20(24)22-13-17-5-4-12-23(15-17)14-16-8-10-21-11-9-16/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyNXZRSUYUQOUMIL-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

About 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide

2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 95222271) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
PubChem CID95222271
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C20H25N3O2/c1-25-19-7-3-2-6-18(19)20(24)22-13-17-5-4-12-23(15-17)14-16-8-10-21-11-9-16/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyNXZRSUYUQOUMIL-QGZVFWFLSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42362575
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide (CID 95222271) is 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide is COc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is NXZRSUYUQOUMIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-7-3-2-6-18(19)20(24)22-13-17-5-4-12-23(15-17)14-16-8-10-21-11-9-16/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95222271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).