N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide

C23H29N3O2S — CID 42456995

IUPACN-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2ccncc2)CC1
InChIInChI=1S/C23H29N3O2S/c1-25(17-20-5-3-2-4-6-20)22(27)8-7-19-11-15-26(16-12-19)23(28)18-29-21-9-13-24-14-10-21/h2-6,9-10,13-14,19H,7-8,11-12,15-18H2,1H3
InChIKeyFUXNXDVHHNMESU-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.85
Rot. Bonds8

About N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide (PubChem CID 42456995) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
PubChem CID42456995
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2ccncc2)CC1
InChIInChI=1S/C23H29N3O2S/c1-25(17-20-5-3-2-4-6-20)22(27)8-7-19-11-15-26(16-12-19)23(28)18-29-21-9-13-24-14-10-21/h2-6,9-10,13-14,19H,7-8,11-12,15-18H2,1H3
InChIKeyFUXNXDVHHNMESU-UHFFFAOYSA-N
XLogP3.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 42379086
N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
CID 42516722
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45232878
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824
3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
CID 25366346
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 129367706
1-[(3S)-3-phenylpiperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 95207742
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630
N,2-dimethyl-N-[(1R)-2-phenyl-1-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]ethyl]furan-3-carboxamide
CID 42485147
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 66261905

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide (CID 42456995) is N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2ccncc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide?
The InChIKey is FUXNXDVHHNMESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-25(17-20-5-3-2-4-6-20)22(27)8-7-19-11-15-26(16-12-19)23(28)18-29-21-9-13-24-14-10-21/h2-6,9-10,13-14,19H,7-8,11-12,15-18H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide has a molecular weight of 411.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42456995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).