(3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C19H32N4O2 — CID 164631302

IUPAC(3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCCn1nc(C)c(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)c1C
InChIInChI=1S/C19H32N4O2/c1-4-23-15(3)18(14(2)21-23)12-22-8-5-16(6-9-22)11-20-19(24)17-7-10-25-13-17/h16-17H,4-13H2,1-3H3,(H,20,24)/t17-/m0/s1
InChIKeyYJTCHYROUIQQPL-KRWDZBQOSA-N
MW348.49 g/mol
LogP1.88
Rot. Bonds6

About (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

(3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 164631302) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID164631302
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCCn1nc(C)c(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)c1C
InChIInChI=1S/C19H32N4O2/c1-4-23-15(3)18(14(2)21-23)12-22-8-5-16(6-9-22)11-20-19(24)17-7-10-25-13-17/h16-17H,4-13H2,1-3H3,(H,20,24)/t17-/m0/s1
InChIKeyYJTCHYROUIQQPL-KRWDZBQOSA-N
XLogP1.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 164631302) is (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is CCn1nc(C)c(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)c1C.
What is the InChIKey of (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is YJTCHYROUIQQPL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-23-15(3)18(14(2)21-23)12-22-8-5-16(6-9-22)11-20-19(24)17-7-10-25-13-17/h16-17H,4-13H2,1-3H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
(3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 164631302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).