N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C22H29N3O2 — CID 166090227

IUPACN-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCC(N)c1ccccc1NC(=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(23)20-7-3-4-8-21(20)24-22(26)18-9-11-19(12-10-18)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16,23H2,1H3,(H,24,26)
InChIKeyFFMGTYSAXXLXRK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.82
Rot. Bonds7

About N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 166090227) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID166090227
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCC(N)c1ccccc1NC(=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(23)20-7-3-4-8-21(20)24-22(26)18-9-11-19(12-10-18)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16,23H2,1H3,(H,24,26)
InChIKeyFFMGTYSAXXLXRK-UHFFFAOYSA-N
XLogP3.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17093762
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
CID 159304007
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
N-[2-(1-piperidin-1-ylpropan-2-yl)phenyl]benzamide
CID 66720488
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434976

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 166090227) is N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is CC(N)c1ccccc1NC(=O)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is FFMGTYSAXXLXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(23)20-7-3-4-8-21(20)24-22(26)18-9-11-19(12-10-18)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16,23H2,1H3,(H,24,26).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 166090227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).