N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

C20H34N4O2 — CID 26315719

IUPACN-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCC(C)n1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1
InChIInChI=1S/C20H34N4O2/c1-16(2)24-15-18(12-22-24)14-23-9-7-17(8-10-23)5-6-20(25)21-13-19-4-3-11-26-19/h12,15-17,19H,3-11,13-14H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyVTQOMDMVGMIKDV-LJQANCHMSA-N
MW362.52 g/mol
LogP2.75
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 26315719) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
PubChem CID26315719
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCC(C)n1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1
InChIInChI=1S/C20H34N4O2/c1-16(2)24-15-18(12-22-24)14-23-9-7-17(8-10-23)5-6-20(25)21-13-19-4-3-11-26-19/h12,15-17,19H,3-11,13-14H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyVTQOMDMVGMIKDV-LJQANCHMSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 26315719) is N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is CC(C)n1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is VTQOMDMVGMIKDV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-16(2)24-15-18(12-22-24)14-23-9-7-17(8-10-23)5-6-20(25)21-13-19-4-3-11-26-19/h12,15-17,19H,3-11,13-14H2,1-2H3,(H,21,25)/t19-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26315719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).