N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide

C21H27N3O2 — CID 97200779

IUPACN-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOCCN(Cc1cccnc1)C(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-13-12-24(16-17-4-2-10-22-14-17)21(25)19-8-6-18(7-9-19)20-5-3-11-23-15-20/h2,4,6-10,14,20,23H,3,5,11-13,15-16H2,1H3/t20-/m1/s1
InChIKeyQOEJBHNGRSESFG-HXUWFJFHSA-N
MW353.47 g/mol
LogP2.84
Rot. Bonds7

About N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide

N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 97200779) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID97200779
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOCCN(Cc1cccnc1)C(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-13-12-24(16-17-4-2-10-22-14-17)21(25)19-8-6-18(7-9-19)20-5-3-11-23-15-20/h2,4,6-10,14,20,23H,3,5,11-13,15-16H2,1H3/t20-/m1/s1
InChIKeyQOEJBHNGRSESFG-HXUWFJFHSA-N
XLogP2.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95723937
N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide
CID 97200422
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97203512
N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide
CID 91921598
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
(3R)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95896718
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 124756503

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 97200779) is N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide is COCCN(Cc1cccnc1)C(=O)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QOEJBHNGRSESFG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-13-12-24(16-17-4-2-10-22-14-17)21(25)19-8-6-18(7-9-19)20-5-3-11-23-15-20/h2,4,6-10,14,20,23H,3,5,11-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 97200779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).