N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C17H30N4O2 — CID 50973212

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)C2CCNCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-21-14(3)16(13(2)19-21)12-20(10-11-23-4)17(22)15-6-8-18-9-7-15/h15,18H,5-12H2,1-4H3
InChIKeyZGCKUIOVRIOZSZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.49
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 50973212) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID50973212
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)C2CCNCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-21-14(3)16(13(2)19-21)12-20(10-11-23-4)17(22)15-6-8-18-9-7-15/h15,18H,5-12H2,1-4H3
InChIKeyZGCKUIOVRIOZSZ-UHFFFAOYSA-N
XLogP1.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 50973212) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is CCn1nc(C)c(CN(CCOC)C(=O)C2CCNCC2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is ZGCKUIOVRIOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-21-14(3)16(13(2)19-21)12-20(10-11-23-4)17(22)15-6-8-18-9-7-15/h15,18H,5-12H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50973212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).