N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C21H30N4O2 — CID 14879863

IUPACN-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1
InChIInChI=1S/C21H30N4O2/c1-3-20(26)25(19-8-5-4-6-9-19)21(18-27-2)10-14-23(15-11-21)16-17-24-13-7-12-22-24/h4-9,12-13H,3,10-11,14-18H2,1-2H3
InChIKeyDOERHXQKDUFFRK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.81
Rot. Bonds8

About N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879863) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879863
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1
InChIInChI=1S/C21H30N4O2/c1-3-20(26)25(19-8-5-4-6-9-19)21(18-27-2)10-14-23(15-11-21)16-17-24-13-7-12-22-24/h4-9,12-13H,3,10-11,14-18H2,1-2H3
InChIKeyDOERHXQKDUFFRK-UHFFFAOYSA-N
XLogP2.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14879863) is N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is DOERHXQKDUFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-20(26)25(19-8-5-4-6-9-19)21(18-27-2)10-14-23(15-11-21)16-17-24-13-7-12-22-24/h4-9,12-13H,3,10-11,14-18H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 370.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).