N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide

C29H31FN2O4 — CID 19689926

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C29H31FN2O4/c1-36-27-5-3-2-4-26(27)32(29(35)24-8-6-21(20-33)7-9-24)19-18-31-16-14-23(15-17-31)28(34)22-10-12-25(30)13-11-22/h2-13,23,33H,14-20H2,1H3
InChIKeyPIBYCYHUSVAAEF-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.57
Rot. Bonds9

About N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 19689926) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide
PubChem CID19689926
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C29H31FN2O4/c1-36-27-5-3-2-4-26(27)32(29(35)24-8-6-21(20-33)7-9-24)19-18-31-16-14-23(15-17-31)28(34)22-10-12-25(30)13-11-22/h2-13,23,33H,14-20H2,1H3
InChIKeyPIBYCYHUSVAAEF-UHFFFAOYSA-N
XLogP4.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide (CID 19689926) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CO)cc1.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is PIBYCYHUSVAAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-36-27-5-3-2-4-26(27)32(29(35)24-8-6-21(20-33)7-9-24)19-18-31-16-14-23(15-17-31)28(34)22-10-12-25(30)13-11-22/h2-13,23,33H,14-20H2,1H3.
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 490.58 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 19689926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).