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

C21H36N4O2 — CID 25460400

IUPAC3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCCCn1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)n1
InChIInChI=1S/C21H36N4O2/c1-3-10-25-16-19(17(2)23-25)15-24-11-8-18(9-12-24)6-7-21(26)22-14-20-5-4-13-27-20/h16,18,20H,3-15H2,1-2H3,(H,22,26)/t20-/m1/s1
InChIKeyBJBORDDBAKKFGW-HXUWFJFHSA-N
MW376.55 g/mol
LogP2.89
Rot. Bonds9

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

3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 25460400) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID25460400
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCCCn1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)n1
InChIInChI=1S/C21H36N4O2/c1-3-10-25-16-19(17(2)23-25)15-24-11-8-18(9-12-24)6-7-21(26)22-14-20-5-4-13-27-20/h16,18,20H,3-15H2,1-2H3,(H,22,26)/t20-/m1/s1
InChIKeyBJBORDDBAKKFGW-HXUWFJFHSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45224572
3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45229016
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42557122
3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97277962
3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42567316
3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26406304
3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26396266
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 95208034
3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25383579
ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97272642

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 25460400) is 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is CCCn1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)n1.
What is the InChIKey of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is BJBORDDBAKKFGW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-3-10-25-16-19(17(2)23-25)15-24-11-8-18(9-12-24)6-7-21(26)22-14-20-5-4-13-27-20/h16,18,20H,3-15H2,1-2H3,(H,22,26)/t20-/m1/s1.
What are the key properties of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 376.55 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 25460400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).