N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide

C21H29N3O2 — CID 95103339

IUPACN-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESC[C@H]1CCCN(CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H29N3O2/c1-16-6-4-12-24(15-16)13-5-11-22-20(25)10-9-18-14-17-7-2-3-8-19(17)23-21(18)26/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyGUKWALSXCPVJIA-INIZCTEOSA-N
MW355.48 g/mol
LogP2.70
Rot. Bonds7

About N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide

N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 95103339) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID95103339
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESC[C@H]1CCCN(CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H29N3O2/c1-16-6-4-12-24(15-16)13-5-11-22-20(25)10-9-18-14-17-7-2-3-8-19(17)23-21(18)26/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyGUKWALSXCPVJIA-INIZCTEOSA-N
XLogP2.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94812474
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55718087
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 125060384

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 95103339) is N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide is C[C@H]1CCCN(CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is GUKWALSXCPVJIA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-6-4-12-24(15-16)13-5-11-22-20(25)10-9-18-14-17-7-2-3-8-19(17)23-21(18)26/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1.
What are the key properties of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 95103339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).