N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide

C24H28N4O2S — CID 91913518

IUPACN-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccccc1OCC1CCCN(Cc2cn[nH]c2-c2cccs2)C1
InChIInChI=1S/C24H28N4O2S/c29-24(26-19-9-10-19)20-6-1-2-7-21(20)30-16-17-5-3-11-28(14-17)15-18-13-25-27-23(18)22-8-4-12-31-22/h1-2,4,6-8,12-13,17,19H,3,5,9-11,14-16H2,(H,25,27)(H,26,29)
InChIKeyHMQDEHDKHRAOBI-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.32
Rot. Bonds8

About N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide (PubChem CID 91913518) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide
PubChem CID91913518
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccccc1OCC1CCCN(Cc2cn[nH]c2-c2cccs2)C1
InChIInChI=1S/C24H28N4O2S/c29-24(26-19-9-10-19)20-6-1-2-7-21(20)30-16-17-5-3-11-28(14-17)15-18-13-25-27-23(18)22-8-4-12-31-22/h1-2,4,6-8,12-13,17,19H,3,5,9-11,14-16H2,(H,25,27)(H,26,29)
InChIKeyHMQDEHDKHRAOBI-UHFFFAOYSA-N
XLogP4.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide (CID 91913518) is N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1ccccc1OCC1CCCN(Cc2cn[nH]c2-c2cccs2)C1.
What is the InChIKey of N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide?
The InChIKey is HMQDEHDKHRAOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c29-24(26-19-9-10-19)20-6-1-2-7-21(20)30-16-17-5-3-11-28(14-17)15-18-13-25-27-23(18)22-8-4-12-31-22/h1-2,4,6-8,12-13,17,19H,3,5,9-11,14-16H2,(H,25,27)(H,26,29).
What are the key properties of N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 91913518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).