N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C20H33N5O3 — CID 24817053

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)C2CCC(=O)N(CCN3CCOCC3)C2)n1
InChIInChI=1S/C20H33N5O3/c1-16-14-17(2)25(21-16)9-6-22(3)20(27)18-4-5-19(26)24(15-18)8-7-23-10-12-28-13-11-23/h14,18H,4-13,15H2,1-3H3
InChIKeyMAMDJFPTOISNCU-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.53
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24817053) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24817053
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)C2CCC(=O)N(CCN3CCOCC3)C2)n1
InChIInChI=1S/C20H33N5O3/c1-16-14-17(2)25(21-16)9-6-22(3)20(27)18-4-5-19(26)24(15-18)8-7-23-10-12-28-13-11-23/h14,18H,4-13,15H2,1-3H3
InChIKeyMAMDJFPTOISNCU-UHFFFAOYSA-N
XLogP0.53
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 24817053) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is Cc1cc(C)n(CCN(C)C(=O)C2CCC(=O)N(CCN3CCOCC3)C2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MAMDJFPTOISNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-16-14-17(2)25(21-16)9-6-22(3)20(27)18-4-5-19(26)24(15-18)8-7-23-10-12-28-13-11-23/h14,18H,4-13,15H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).