N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide

C23H32N4O3 — CID 24817311

IUPACN-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
SMILESCCn1ncc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)c1C
InChIInChI=1S/C23H32N4O3/c1-4-27-16(2)18(14-24-27)15-26-11-9-20(10-12-26)30-22-13-17(5-8-21(22)29-3)23(28)25-19-6-7-19/h5,8,13-14,19-20H,4,6-7,9-12,15H2,1-3H3,(H,25,28)
InChIKeyCRSSCFUSCSZBPP-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.16
Rot. Bonds8

About N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide

N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide (PubChem CID 24817311) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
PubChem CID24817311
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
SMILESCCn1ncc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)c1C
InChIInChI=1S/C23H32N4O3/c1-4-27-16(2)18(14-24-27)15-26-11-9-20(10-12-26)30-22-13-17(5-8-21(22)29-3)23(28)25-19-6-7-19/h5,8,13-14,19-20H,4,6-7,9-12,15H2,1-3H3,(H,25,28)
InChIKeyCRSSCFUSCSZBPP-UHFFFAOYSA-N
XLogP3.16
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide (CID 24817311) is N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide is CCn1ncc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)c1C.
What is the InChIKey of N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The InChIKey is CRSSCFUSCSZBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-27-16(2)18(14-24-27)15-26-11-9-20(10-12-26)30-22-13-17(5-8-21(22)29-3)23(28)25-19-6-7-19/h5,8,13-14,19-20H,4,6-7,9-12,15H2,1-3H3,(H,25,28).
What are the key properties of N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide is sourced from PubChem (CID 24817311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).