3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C20H34N4O2 — CID 42513458

IUPAC3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCCc1nc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)[nH]1
InChIInChI=1S/C20H34N4O2/c1-3-19-22-15(2)18(23-19)14-24-10-8-16(9-11-24)6-7-20(25)21-13-17-5-4-12-26-17/h16-17H,3-14H2,1-2H3,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyWYFLPNKAPXOAGS-QGZVFWFLSA-N
MW362.52 g/mol
LogP2.57
Rot. Bonds8

About 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 42513458) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID42513458
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCCc1nc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)[nH]1
InChIInChI=1S/C20H34N4O2/c1-3-19-22-15(2)18(23-19)14-24-10-8-16(9-11-24)6-7-20(25)21-13-17-5-4-12-26-17/h16-17H,3-14H2,1-2H3,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyWYFLPNKAPXOAGS-QGZVFWFLSA-N
XLogP2.57
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 42513458) is 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is CCc1nc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)[nH]1.
What is the InChIKey of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is WYFLPNKAPXOAGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-19-22-15(2)18(23-19)14-24-10-8-16(9-11-24)6-7-20(25)21-13-17-5-4-12-26-17/h16-17H,3-14H2,1-2H3,(H,21,25)(H,22,23)/t17-/m1/s1.
What are the key properties of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 42513458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).