1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H30N4O2 — CID 24817519

IUPAC1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(C3CCCCCC3)C2)cn1
InChIInChI=1S/C19H30N4O2/c1-2-22-13-15(12-21-22)11-20-19(25)16-9-10-18(24)23(14-16)17-7-5-3-4-6-8-17/h12-13,16-17H,2-11,14H2,1H3,(H,20,25)
InChIKeyQVQNGZZGUWMZJK-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.48
Rot. Bonds5

About 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817519) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817519
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(C3CCCCCC3)C2)cn1
InChIInChI=1S/C19H30N4O2/c1-2-22-13-15(12-21-22)11-20-19(25)16-9-10-18(24)23(14-16)17-7-5-3-4-6-8-17/h12-13,16-17H,2-11,14H2,1H3,(H,20,25)
InChIKeyQVQNGZZGUWMZJK-UHFFFAOYSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817519) is 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCC(=O)N(C3CCCCCC3)C2)cn1.
What is the InChIKey of 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QVQNGZZGUWMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-22-13-15(12-21-22)11-20-19(25)16-9-10-18(24)23(14-16)17-7-5-3-4-6-8-17/h12-13,16-17H,2-11,14H2,1H3,(H,20,25).
What are the key properties of 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).