3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide

C21H27N3O — CID 16895855

IUPAC3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H27N3O/c25-21(9-8-18-5-2-1-3-6-18)23-16-19-10-13-24(14-11-19)17-20-7-4-12-22-15-20/h1-7,12,15,19H,8-11,13-14,16-17H2,(H,23,25)
InChIKeyCWSAVLUINPPJQH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.04
Rot. Bonds7

About 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide

3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 16895855) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
PubChem CID16895855
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H27N3O/c25-21(9-8-18-5-2-1-3-6-18)23-16-19-10-13-24(14-11-19)17-20-7-4-12-22-15-20/h1-7,12,15,19H,8-11,13-14,16-17H2,(H,23,25)
InChIKeyCWSAVLUINPPJQH-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 131942617
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide (CID 16895855) is 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide is O=C(CCc1ccccc1)NCC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is CWSAVLUINPPJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(9-8-18-5-2-1-3-6-18)23-16-19-10-13-24(14-11-19)17-20-7-4-12-22-15-20/h1-7,12,15,19H,8-11,13-14,16-17H2,(H,23,25).
What are the key properties of 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide?
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 16895855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).