4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

C21H27N3O3 — CID 55735122

IUPAC4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-3-27-18-9-8-17(13-19(18)26-2)21(25)23-15-16-7-10-20(22-14-16)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,23,25)
InChIKeyHRNZWQOJGYUDCP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.41
Rot. Bonds7

About 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55735122) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55735122
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-3-27-18-9-8-17(13-19(18)26-2)21(25)23-15-16-7-10-20(22-14-16)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,23,25)
InChIKeyHRNZWQOJGYUDCP-UHFFFAOYSA-N
XLogP3.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55794671
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 37481999
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (CID 55735122) is 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is HRNZWQOJGYUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-27-18-9-8-17(13-19(18)26-2)21(25)23-15-16-7-10-20(22-14-16)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55735122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).