(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide

C18H25N3O2 — CID 32715892

IUPAC(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13(18(23)20-10-4-8-15(12-20)17(19)22)21-11-5-7-14-6-2-3-9-16(14)21/h2-3,6,9,13,15H,4-5,7-8,10-12H2,1H3,(H2,19,22)/t13-,15+/m0/s1
InChIKeyQFVIPJHZZKQXAF-DZGCQCFKSA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds3

About (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide

(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 32715892) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID32715892
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13(18(23)20-10-4-8-15(12-20)17(19)22)21-11-5-7-14-6-2-3-9-16(14)21/h2-3,6,9,13,15H,4-5,7-8,10-12H2,1H3,(H2,19,22)/t13-,15+/m0/s1
InChIKeyQFVIPJHZZKQXAF-DZGCQCFKSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114336036
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 114337576
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
1-[2-(2,4,5,6-tetrahydro-1H-3-benzazocin-3-yl)propanoyl]piperidine-4-carboxamide
CID 128582925
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide (CID 32715892) is (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide is C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc21.
What is the InChIKey of (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is QFVIPJHZZKQXAF-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(18(23)20-10-4-8-15(12-20)17(19)22)21-11-5-7-14-6-2-3-9-16(14)21/h2-3,6,9,13,15H,4-5,7-8,10-12H2,1H3,(H2,19,22)/t13-,15+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 32715892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).