N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C19H33N5O2 — CID 50976449

IUPACN,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(CC(=O)Nc2c(C)nn(CC)c2C)C1
InChIInChI=1S/C19H33N5O2/c1-6-23(7-2)19(26)16-10-9-11-22(12-16)13-17(25)20-18-14(4)21-24(8-3)15(18)5/h16H,6-13H2,1-5H3,(H,20,25)
InChIKeyYIMNTRNTJOKRMT-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.04
Rot. Bonds7

About N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 50976449) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID50976449
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(CC(=O)Nc2c(C)nn(CC)c2C)C1
InChIInChI=1S/C19H33N5O2/c1-6-23(7-2)19(26)16-10-9-11-22(12-16)13-17(25)20-18-14(4)21-24(8-3)15(18)5/h16H,6-13H2,1-5H3,(H,20,25)
InChIKeyYIMNTRNTJOKRMT-UHFFFAOYSA-N
XLogP2.04
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 50976449) is N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(CC(=O)Nc2c(C)nn(CC)c2C)C1.
What is the InChIKey of N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is YIMNTRNTJOKRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-6-23(7-2)19(26)16-10-9-11-22(12-16)13-17(25)20-18-14(4)21-24(8-3)15(18)5/h16H,6-13H2,1-5H3,(H,20,25).
What are the key properties of N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50976449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).