3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

C27H33N3O3 — CID 139680048

IUPAC3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
SMILESO=C(CCc1cc(=O)[nH]c2ccccc12)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C27H33N3O3/c31-26(13-12-22-19-27(32)29-25-11-3-2-10-24(22)25)28-14-7-17-33-23-9-6-8-21(18-23)20-30-15-4-1-5-16-30/h2-3,6,8-11,18-19H,1,4-5,7,12-17,20H2,(H,28,31)(H,29,32)
InChIKeySHGVPYFLUGPTOG-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.03
Rot. Bonds10

About 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide (PubChem CID 139680048) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
PubChem CID139680048
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
SMILESO=C(CCc1cc(=O)[nH]c2ccccc12)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C27H33N3O3/c31-26(13-12-22-19-27(32)29-25-11-3-2-10-24(22)25)28-14-7-17-33-23-9-6-8-21(18-23)20-30-15-4-1-5-16-30/h2-3,6,8-11,18-19H,1,4-5,7,12-17,20H2,(H,28,31)(H,29,32)
InChIKeySHGVPYFLUGPTOG-UHFFFAOYSA-N
XLogP4.03
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
CID 15029681
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 58756726
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
2-[(4-fluorophenyl)sulfonylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 45035731

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The IUPAC name of 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide (CID 139680048) is 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The canonical SMILES for 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide is O=C(CCc1cc(=O)[nH]c2ccccc12)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The InChIKey is SHGVPYFLUGPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c31-26(13-12-22-19-27(32)29-25-11-3-2-10-24(22)25)28-14-7-17-33-23-9-6-8-21(18-23)20-30-15-4-1-5-16-30/h2-3,6,8-11,18-19H,1,4-5,7,12-17,20H2,(H,28,31)(H,29,32).
What are the key properties of 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide has a molecular weight of 447.58 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide is sourced from PubChem (CID 139680048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).