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

C21H28N4O — CID 123274591

IUPAC3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C21H28N4O/c26-21(10-14-25-12-2-1-3-13-25)24-20-8-6-18(7-9-20)15-23-17-19-5-4-11-22-16-19/h4-9,11,16,23H,1-3,10,12-15,17H2,(H,24,26)
InChIKeyJAZGJSGCEIXJPB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.19
Rot. Bonds8

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

3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide (PubChem CID 123274591) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
PubChem CID123274591
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C21H28N4O/c26-21(10-14-25-12-2-1-3-13-25)24-20-8-6-18(7-9-20)15-23-17-19-5-4-11-22-16-19/h4-9,11,16,23H,1-3,10,12-15,17H2,(H,24,26)
InChIKeyJAZGJSGCEIXJPB-UHFFFAOYSA-N
XLogP3.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 44754054
N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 123461510
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-3-ylmethylamino)acetamide
CID 108999433
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
CID 86852146
N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 123945411
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide (CID 123274591) is 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide is O=C(CCN1CCCCC1)Nc1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide?
The InChIKey is JAZGJSGCEIXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(10-14-25-12-2-1-3-13-25)24-20-8-6-18(7-9-20)15-23-17-19-5-4-11-22-16-19/h4-9,11,16,23H,1-3,10,12-15,17H2,(H,24,26).
What are the key properties of 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide?
3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 123274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).