3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C25H31N3O2 — CID 18134099

IUPAC3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C25H31N3O2/c29-24(13-12-20-16-19-8-4-5-11-23(19)27-25(20)30)26-17-21-9-2-3-10-22(21)18-28-14-6-1-7-15-28/h2-5,8-11,20H,1,6-7,12-18H2,(H,26,29)(H,27,30)
InChIKeyRDRSGRHBJWZMAJ-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.88
Rot. Bonds7

About 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 18134099) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID18134099
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C25H31N3O2/c29-24(13-12-20-16-19-8-4-5-11-23(19)27-25(20)30)26-17-21-9-2-3-10-22(21)18-28-14-6-1-7-15-28/h2-5,8-11,20H,1,6-7,12-18H2,(H,26,29)(H,27,30)
InChIKeyRDRSGRHBJWZMAJ-UHFFFAOYSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621979
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26006252
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 134049503
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18143095

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 18134099) is 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCC1Cc2ccccc2NC1=O)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is RDRSGRHBJWZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(13-12-20-16-19-8-4-5-11-23(19)27-25(20)30)26-17-21-9-2-3-10-22(21)18-28-14-6-1-7-15-28/h2-5,8-11,20H,1,6-7,12-18H2,(H,26,29)(H,27,30).
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18134099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).