N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C22H27N3O2 — CID 92550234

IUPACN-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(26)24-22(20-9-5-6-14-23-20)19-12-15-25(16-13-19)21(27)11-10-18-7-3-2-4-8-18/h2-9,14,19,22H,10-13,15-16H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyXHXFVNPQFYEKLV-JOCHJYFZSA-N
MW365.48 g/mol
LogP3.13
Rot. Bonds6

About N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92550234) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92550234
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(26)24-22(20-9-5-6-14-23-20)19-12-15-25(16-13-19)21(27)11-10-18-7-3-2-4-8-18/h2-9,14,19,22H,10-13,15-16H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyXHXFVNPQFYEKLV-JOCHJYFZSA-N
XLogP3.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550248
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92581839
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[(R)-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550184
N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550202
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[(S)-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550210
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 92550234) is N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is XHXFVNPQFYEKLV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(26)24-22(20-9-5-6-14-23-20)19-12-15-25(16-13-19)21(27)11-10-18-7-3-2-4-8-18/h2-9,14,19,22H,10-13,15-16H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92550234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).