N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide

C17H27N3O2 — CID 42532364

IUPACN-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H27N3O2/c1-22-12-9-19-17(21)5-4-15-6-10-20(11-7-15)14-16-3-2-8-18-13-16/h2-3,8,13,15H,4-7,9-12,14H2,1H3,(H,19,21)
InChIKeyNQGULPGJKKXKEX-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.84
Rot. Bonds8

About N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 42532364) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
PubChem CID42532364
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H27N3O2/c1-22-12-9-19-17(21)5-4-15-6-10-20(11-7-15)14-16-3-2-8-18-13-16/h2-3,8,13,15H,4-7,9-12,14H2,1H3,(H,19,21)
InChIKeyNQGULPGJKKXKEX-UHFFFAOYSA-N
XLogP1.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
[4-(2-methoxyethyl)piperidin-1-yl]-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96577997
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
CID 26394300
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25448651

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide (CID 42532364) is N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is NQGULPGJKKXKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-12-9-19-17(21)5-4-15-6-10-20(11-7-15)14-16-3-2-8-18-13-16/h2-3,8,13,15H,4-7,9-12,14H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42532364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).