2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C27H31N3O2 — CID 110228631

IUPAC2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOCC(=O)NC(c1ccccn1)C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H31N3O2/c1-32-20-26(31)29-27(25-9-5-6-16-28-25)24-14-17-30(18-15-24)19-21-10-12-23(13-11-21)22-7-3-2-4-8-22/h2-13,16,24,27H,14-15,17-20H2,1H3,(H,29,31)
InChIKeyQZJOSCJNGKZIPA-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.46
Rot. Bonds8

About 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 110228631) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID110228631
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOCC(=O)NC(c1ccccn1)C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H31N3O2/c1-32-20-26(31)29-27(25-9-5-6-16-28-25)24-14-17-30(18-15-24)19-21-10-12-23(13-11-21)22-7-3-2-4-8-22/h2-13,16,24,27H,14-15,17-20H2,1H3,(H,29,31)
InChIKeyQZJOSCJNGKZIPA-UHFFFAOYSA-N
XLogP4.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(S)-[(3S)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92610896
2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92562260
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 92566982
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
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 110228575

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 110228631) is 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COCC(=O)NC(c1ccccn1)C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is QZJOSCJNGKZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-32-20-26(31)29-27(25-9-5-6-16-28-25)24-14-17-30(18-15-24)19-21-10-12-23(13-11-21)22-7-3-2-4-8-22/h2-13,16,24,27H,14-15,17-20H2,1H3,(H,29,31).
What are the key properties of 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 429.56 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 110228631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).