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

C19H24N2O3 — CID 9472621

IUPACN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H24N2O3/c1-14-7-4-5-11-21(14)12-6-10-20-18(22)16-13-15-8-2-3-9-17(15)24-19(16)23/h2-3,8-9,13-14H,4-7,10-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyPLGAIBQLACLBMY-AWEZNQCLSA-N
MW328.41 g/mol
LogP2.79
Rot. Bonds5

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

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide (PubChem CID 9472621) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
PubChem CID9472621
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H24N2O3/c1-14-7-4-5-11-21(14)12-6-10-20-18(22)16-13-15-8-2-3-9-17(15)24-19(16)23/h2-3,8-9,13-14H,4-7,10-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyPLGAIBQLACLBMY-AWEZNQCLSA-N
XLogP2.79
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
CID 16892536
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
N-[2-(1,1-dioxothian-4-yl)ethyl]-2-oxochromene-3-carboxamide
CID 171914896

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide (CID 9472621) is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide is C[C@H]1CCCCN1CCCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide?
The InChIKey is PLGAIBQLACLBMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-7-4-5-11-21(14)12-6-10-20-18(22)16-13-15-8-2-3-9-17(15)24-19(16)23/h2-3,8-9,13-14H,4-7,10-12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide?
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 9472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).