(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C24H28FN5O2 — CID 66660948

IUPAC(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCn1ccc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)n1
InChIInChI=1S/C24H28FN5O2/c1-29-13-11-22(28-29)17-32-24(31)26-12-8-18-9-14-30(15-10-18)23-7-4-20(16-27-23)19-2-5-21(25)6-3-19/h2-7,11,13,16,18H,8-10,12,14-15,17H2,1H3,(H,26,31)
InChIKeyZZUYLTAFTIZBAJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.15
Rot. Bonds7

About (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 66660948) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID66660948
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCn1ccc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)n1
InChIInChI=1S/C24H28FN5O2/c1-29-13-11-22(28-29)17-32-24(31)26-12-8-18-9-14-30(15-10-18)23-7-4-20(16-27-23)19-2-5-21(25)6-3-19/h2-7,11,13,16,18H,8-10,12,14-15,17H2,1H3,(H,26,31)
InChIKeyZZUYLTAFTIZBAJ-UHFFFAOYSA-N
XLogP4.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 66660948) is (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is Cn1ccc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is ZZUYLTAFTIZBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-29-13-11-22(28-29)17-32-24(31)26-12-8-18-9-14-30(15-10-18)23-7-4-20(16-27-23)19-2-5-21(25)6-3-19/h2-7,11,13,16,18H,8-10,12,14-15,17H2,1H3,(H,26,31).
What are the key properties of (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 437.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 66660948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).