3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide

C22H30N4O2 — CID 110228575

IUPAC3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
SMILESCOCCC(=O)NC(c1ccccn1)C1CCN(Cc2cccc(C)n2)CC1
InChIInChI=1S/C22H30N4O2/c1-17-6-5-7-19(24-17)16-26-13-9-18(10-14-26)22(20-8-3-4-12-23-20)25-21(27)11-15-28-2/h3-8,12,18,22H,9-11,13-16H2,1-2H3,(H,25,27)
InChIKeySSKWTPNWSFIBPZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.89
Rot. Bonds8

About 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide

3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide (PubChem CID 110228575) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
PubChem CID110228575
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
SMILESCOCCC(=O)NC(c1ccccn1)C1CCN(Cc2cccc(C)n2)CC1
InChIInChI=1S/C22H30N4O2/c1-17-6-5-7-19(24-17)16-26-13-9-18(10-14-26)22(20-8-3-4-12-23-20)25-21(27)11-15-28-2/h3-8,12,18,22H,9-11,13-16H2,1-2H3,(H,25,27)
InChIKeySSKWTPNWSFIBPZ-UHFFFAOYSA-N
XLogP2.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228605
3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 92566982
3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 100833189
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 46951192
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide;hydrochloride
CID 171669163
N-[(S)-[(3R)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methoxypropanamide
CID 92611083
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631
2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228666
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92562260
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
The IUPAC name of 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide (CID 110228575) is 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide is COCCC(=O)NC(c1ccccn1)C1CCN(Cc2cccc(C)n2)CC1.
What is the InChIKey of 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
The InChIKey is SSKWTPNWSFIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-6-5-7-19(24-17)16-26-13-9-18(10-14-26)22(20-8-3-4-12-23-20)25-21(27)11-15-28-2/h3-8,12,18,22H,9-11,13-16H2,1-2H3,(H,25,27).
What are the key properties of 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide is sourced from PubChem (CID 110228575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).