N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide

C18H24N4O2 — CID 97211128

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
SMILESCOCc1cc(CNC(=O)c2cccc([C@H]3CCCNC3)c2)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-24-12-17-9-16(21-22-17)11-20-18(23)14-5-2-4-13(8-14)15-6-3-7-19-10-15/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyCYFAFWANJIOZGO-HNNXBMFYSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97211128) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
PubChem CID97211128
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
SMILESCOCc1cc(CNC(=O)c2cccc([C@H]3CCCNC3)c2)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-24-12-17-9-16(21-22-17)11-20-18(23)14-5-2-4-13(8-14)15-6-3-7-19-10-15/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyCYFAFWANJIOZGO-HNNXBMFYSA-N
XLogP1.95
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77097142
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidin-3-ylbenzamide
CID 167919058
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide (CID 97211128) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide is COCc1cc(CNC(=O)c2cccc([C@H]3CCCNC3)c2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is CYFAFWANJIOZGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-12-17-9-16(21-22-17)11-20-18(23)14-5-2-4-13(8-14)15-6-3-7-19-10-15/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97211128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).