N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C22H33FN4O2 — CID 60551022

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C22H33FN4O2/c23-19-5-3-18(4-6-19)16-25-9-7-20(8-10-25)24-22(28)27-13-11-26(12-14-27)17-21-2-1-15-29-21/h3-6,20-21H,1-2,7-17H2,(H,24,28)
InChIKeyLGZVCRGVHDSNOO-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.30
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 60551022) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID60551022
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C22H33FN4O2/c23-19-5-3-18(4-6-19)16-25-9-7-20(8-10-25)24-22(28)27-13-11-26(12-14-27)17-21-2-1-15-29-21/h3-6,20-21H,1-2,7-17H2,(H,24,28)
InChIKeyLGZVCRGVHDSNOO-UHFFFAOYSA-N
XLogP2.30
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 60551022) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LGZVCRGVHDSNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O2/c23-19-5-3-18(4-6-19)16-25-9-7-20(8-10-25)24-22(28)27-13-11-26(12-14-27)17-21-2-1-15-29-21/h3-6,20-21H,1-2,7-17H2,(H,24,28).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 60551022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).