N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide

C23H32N4O3 — CID 25459724

IUPACN-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)CCn3cccn3)CC2)c1
InChIInChI=1S/C23H32N4O3/c1-17(8-15-27-12-3-11-24-27)26-13-9-19(10-14-26)30-22-16-20(29-2)6-7-21(22)23(28)25-18-4-5-18/h3,6-7,11-12,16-19H,4-5,8-10,13-15H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyXUGMHHBDENHUAC-QGZVFWFLSA-N
MW412.53 g/mol
LogP3.11
Rot. Bonds9

About N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide

N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide (PubChem CID 25459724) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide
PubChem CID25459724
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)CCn3cccn3)CC2)c1
InChIInChI=1S/C23H32N4O3/c1-17(8-15-27-12-3-11-24-27)26-13-9-19(10-14-26)30-22-16-20(29-2)6-7-21(22)23(28)25-18-4-5-18/h3,6-7,11-12,16-19H,4-5,8-10,13-15H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyXUGMHHBDENHUAC-QGZVFWFLSA-N
XLogP3.11
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 26316423
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide
CID 26409216
N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
CID 42564920
N-cyclopropyl-4-methoxy-2-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxybenzamide
CID 72864995
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
[4-methoxy-2-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 45229358
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70779423
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25457226

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide (CID 25459724) is N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide is COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)CCn3cccn3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide?
The InChIKey is XUGMHHBDENHUAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17(8-15-27-12-3-11-24-27)26-13-9-19(10-14-26)30-22-16-20(29-2)6-7-21(22)23(28)25-18-4-5-18/h3,6-7,11-12,16-19H,4-5,8-10,13-15H2,1-2H3,(H,25,28)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide?
N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25459724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).