(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide

C18H24N4O2 — CID 125177350

IUPAC(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide
SMILESCCCN1C[C@@H](C(=O)NCc2[nH]nc3ccc(C)cc23)CCC1=O
InChIInChI=1S/C18H24N4O2/c1-3-8-22-11-13(5-7-17(22)23)18(24)19-10-16-14-9-12(2)4-6-15(14)20-21-16/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3,(H,19,24)(H,20,21)/t13-/m0/s1
InChIKeyQKKKSSWVNCVIOY-ZDUSSCGKSA-N
MW328.42 g/mol
LogP2.14
Rot. Bonds5

About (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide

(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide (PubChem CID 125177350) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide
PubChem CID125177350
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide
SMILESCCCN1C[C@@H](C(=O)NCc2[nH]nc3ccc(C)cc23)CCC1=O
InChIInChI=1S/C18H24N4O2/c1-3-8-22-11-13(5-7-17(22)23)18(24)19-10-16-14-9-12(2)4-6-15(14)20-21-16/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3,(H,19,24)(H,20,21)/t13-/m0/s1
InChIKeyQKKKSSWVNCVIOY-ZDUSSCGKSA-N
XLogP2.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide (CID 125177350) is (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide is CCCN1C[C@@H](C(=O)NCc2[nH]nc3ccc(C)cc23)CCC1=O.
What is the InChIKey of (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide?
The InChIKey is QKKKSSWVNCVIOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-8-22-11-13(5-7-17(22)23)18(24)19-10-16-14-9-12(2)4-6-15(14)20-21-16/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3,(H,19,24)(H,20,21)/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide?
(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide is sourced from PubChem (CID 125177350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).