2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide

C21H27N3O2 — CID 55745613

IUPAC2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESCC(OCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C21H27N3O2/c1-17(26-16-18-8-4-2-5-9-18)21(25)23-15-19-10-11-20(22-14-19)24-12-6-3-7-13-24/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3,(H,23,25)
InChIKeyUIXVCVQQWUBFDT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.29
Rot. Bonds7

About 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide

2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 55745613) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID55745613
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESCC(OCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C21H27N3O2/c1-17(26-16-18-8-4-2-5-9-18)21(25)23-15-19-10-11-20(22-14-19)24-12-6-3-7-13-24/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3,(H,23,25)
InChIKeyUIXVCVQQWUBFDT-UHFFFAOYSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55747084
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide (CID 55745613) is 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide is CC(OCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is UIXVCVQQWUBFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17(26-16-18-8-4-2-5-9-18)21(25)23-15-19-10-11-20(22-14-19)24-12-6-3-7-13-24/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3,(H,23,25).
What are the key properties of 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide?
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55745613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).