N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

C18H30N4O2 — CID 172899868

IUPACN,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(CC3CCOC3)CC2)nn1C
InChIInChI=1S/C18H30N4O2/c1-14-10-17(19-21(14)3)18(23)20(2)11-15-4-7-22(8-5-15)12-16-6-9-24-13-16/h10,15-16H,4-9,11-13H2,1-3H3
InChIKeyZKFIXZQIAGADEN-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.55
Rot. Bonds5

About N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (PubChem CID 172899868) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
PubChem CID172899868
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(CC3CCOC3)CC2)nn1C
InChIInChI=1S/C18H30N4O2/c1-14-10-17(19-21(14)3)18(23)20(2)11-15-4-7-22(8-5-15)12-16-6-9-24-13-16/h10,15-16H,4-9,11-13H2,1-3H3
InChIKeyZKFIXZQIAGADEN-UHFFFAOYSA-N
XLogP1.55
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (CID 172899868) is N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(CC3CCOC3)CC2)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is ZKFIXZQIAGADEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-10-17(19-21(14)3)18(23)20(2)11-15-4-7-22(8-5-15)12-16-6-9-24-13-16/h10,15-16H,4-9,11-13H2,1-3H3.
What are the key properties of N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 172899868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).