N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide

C20H26N4O — CID 75428282

IUPACN-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide
SMILESCNC(=O)c1cccc(CCNC2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-21-20(25)17-6-4-5-16(15-17)8-12-22-18-9-13-24(14-10-18)19-7-2-3-11-23-19/h2-7,11,15,18,22H,8-10,12-14H2,1H3,(H,21,25)
InChIKeyJVUBCUXLOBIROO-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.24
Rot. Bonds6

About N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide

N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide (PubChem CID 75428282) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide
PubChem CID75428282
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide
SMILESCNC(=O)c1cccc(CCNC2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-21-20(25)17-6-4-5-16(15-17)8-12-22-18-9-13-24(14-10-18)19-7-2-3-11-23-19/h2-7,11,15,18,22H,8-10,12-14H2,1H3,(H,21,25)
InChIKeyJVUBCUXLOBIROO-UHFFFAOYSA-N
XLogP2.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-methyl-3-[[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]benzamide
CID 111220897
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 63332224
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
3-[2-[[N'-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111987753

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide (CID 75428282) is N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide is CNC(=O)c1cccc(CCNC2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide?
The InChIKey is JVUBCUXLOBIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-21-20(25)17-6-4-5-16(15-17)8-12-22-18-9-13-24(14-10-18)19-7-2-3-11-23-19/h2-7,11,15,18,22H,8-10,12-14H2,1H3,(H,21,25).
What are the key properties of N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide?
N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide has a molecular weight of 338.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 75428282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).