3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide

C16H23N3O3 — CID 119733584

IUPAC3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC(=O)CC2CCNCC2)cc1
InChIInChI=1S/C16H23N3O3/c17-15(20)7-10-22-14-3-1-13(2-4-14)19-16(21)11-12-5-8-18-9-6-12/h1-4,12,18H,5-11H2,(H2,17,20)(H,19,21)
InChIKeyCHCHDKBGLWTDHU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds7

About 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide

3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide (PubChem CID 119733584) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide
PubChem CID119733584
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC(=O)CC2CCNCC2)cc1
InChIInChI=1S/C16H23N3O3/c17-15(20)7-10-22-14-3-1-13(2-4-14)19-16(21)11-12-5-8-18-9-6-12/h1-4,12,18H,5-11H2,(H2,17,20)(H,19,21)
InChIKeyCHCHDKBGLWTDHU-UHFFFAOYSA-N
XLogP1.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
CID 119733587
N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119294944
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
2-cyclopentyl-N-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 111116192
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
N-(4-phenylphenyl)-2-piperidin-4-ylacetamide
CID 67362104
3-[4-(cyclohexylmethylamino)phenoxy]propanamide
CID 43676559
2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
CID 61329797
2-cyclopentyl-N-(4-hexoxyphenyl)acetamide
CID 54786135
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
2-piperidin-4-yloxy-N-(4-propoxyphenyl)acetamide
CID 63876932

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide?
The IUPAC name of 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide (CID 119733584) is 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide?
The canonical SMILES for 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide is NC(=O)CCOc1ccc(NC(=O)CC2CCNCC2)cc1.
What is the InChIKey of 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide?
The InChIKey is CHCHDKBGLWTDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-15(20)7-10-22-14-3-1-13(2-4-14)19-16(21)11-12-5-8-18-9-6-12/h1-4,12,18H,5-11H2,(H2,17,20)(H,19,21).
What are the key properties of 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide?
3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide has a molecular weight of 305.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide is sourced from PubChem (CID 119733584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).