N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C27H36N4O3 — CID 14879890

IUPACN-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)CCN2c2ccccc2)CC1
InChIInChI=1S/C27H36N4O3/c1-3-25(32)31(24-12-8-5-9-13-24)27(22-34-2)15-18-28(19-16-27)20-21-30-26(33)14-17-29(30)23-10-6-4-7-11-23/h4-13H,3,14-22H2,1-2H3
InChIKeyMVPGHNCKEQPEBZ-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.56
Rot. Bonds9

About N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879890) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879890
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)CCN2c2ccccc2)CC1
InChIInChI=1S/C27H36N4O3/c1-3-25(32)31(24-12-8-5-9-13-24)27(22-34-2)15-18-28(19-16-27)20-21-30-26(33)14-17-29(30)23-10-6-4-7-11-23/h4-13H,3,14-22H2,1-2H3
InChIKeyMVPGHNCKEQPEBZ-UHFFFAOYSA-N
XLogP3.56
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.56
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-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 14879890) is N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)CCN2c2ccccc2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is MVPGHNCKEQPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-3-25(32)31(24-12-8-5-9-13-24)27(22-34-2)15-18-28(19-16-27)20-21-30-26(33)14-17-29(30)23-10-6-4-7-11-23/h4-13H,3,14-22H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 464.61 g/mol, XLogP of 3.56, 9 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-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).