N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide

C20H26N4O — CID 75472607

IUPACN-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-20(25)23-18-5-3-17(4-6-18)22-19-9-13-24(14-10-19)15-16-7-11-21-12-8-16/h3-8,11-12,19,22H,2,9-10,13-15H2,1H3,(H,23,25)
InChIKeyQTHASZQDCLDEJZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.51
Rot. Bonds6

About N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide

N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide (PubChem CID 75472607) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
PubChem CID75472607
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-20(25)23-18-5-3-17(4-6-18)22-19-9-13-24(14-10-19)15-16-7-11-21-12-8-16/h3-8,11-12,19,22H,2,9-10,13-15H2,1H3,(H,23,25)
InChIKeyQTHASZQDCLDEJZ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
CID 86786877
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171701512
N-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 163327898
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one
CID 146107579
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide (CID 75472607) is N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide?
The InChIKey is QTHASZQDCLDEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-20(25)23-18-5-3-17(4-6-18)22-19-9-13-24(14-10-19)15-16-7-11-21-12-8-16/h3-8,11-12,19,22H,2,9-10,13-15H2,1H3,(H,23,25).
What are the key properties of N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide?
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide is sourced from PubChem (CID 75472607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).