N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide

C19H25N3O — CID 9472411

IUPACN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H25N3O/c1-15-7-4-5-13-22(15)14-6-12-20-19(23)18-11-10-16-8-2-3-9-17(16)21-18/h2-3,8-11,15H,4-7,12-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyCIEMFAXVGRBBOL-HNNXBMFYSA-N
MW311.43 g/mol
LogP3.23
Rot. Bonds5

About N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide (PubChem CID 9472411) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
PubChem CID9472411
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H25N3O/c1-15-7-4-5-13-22(15)14-6-12-20-19(23)18-11-10-16-8-2-3-9-17(16)21-18/h2-3,8-11,15H,4-7,12-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyCIEMFAXVGRBBOL-HNNXBMFYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
CID 9472621
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide (CID 9472411) is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide is C[C@H]1CCCCN1CCCNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide?
The InChIKey is CIEMFAXVGRBBOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-7-4-5-13-22(15)14-6-12-20-19(23)18-11-10-16-8-2-3-9-17(16)21-18/h2-3,8-11,15H,4-7,12-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide?
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide is sourced from PubChem (CID 9472411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).