N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide

C29H36N4O3 — CID 26320957

IUPACN-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccccc1C[C@H](C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1)N(C)C(=O)Cn1cccn1
InChIInChI=1S/C29H36N4O3/c1-22-10-7-8-11-25(22)20-27(31(3)28(34)21-33-17-9-16-30-33)24-14-18-32(19-15-24)29(35)23(2)36-26-12-5-4-6-13-26/h4-13,16-17,23-24,27H,14-15,18-21H2,1-3H3/t23-,27+/m0/s1
InChIKeyQZACCVZZNBMXRH-WNCULLNHSA-N
MW488.63 g/mol
LogP3.97
Rot. Bonds9

About N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide

N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 26320957) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID26320957
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccccc1C[C@H](C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1)N(C)C(=O)Cn1cccn1
InChIInChI=1S/C29H36N4O3/c1-22-10-7-8-11-25(22)20-27(31(3)28(34)21-33-17-9-16-30-33)24-14-18-32(19-15-24)29(35)23(2)36-26-12-5-4-6-13-26/h4-13,16-17,23-24,27H,14-15,18-21H2,1-3H3/t23-,27+/m0/s1
InChIKeyQZACCVZZNBMXRH-WNCULLNHSA-N
XLogP3.97
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-[(2S)-2-acetamido-3-methylbutanoyl]piperidin-4-yl]-2-(2-methylphenyl)ethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 42373403
N-[(1S)-1-[1-[(2R)-2-acetamido-3-methylbutanoyl]piperidin-4-yl]-2-(2-methylphenyl)ethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 42373402
N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 42192828
N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 42370535
N-methyl-N-[2-(2-methylphenyl)-1-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 45187460
N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 42380292
N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide
CID 42238452
N-[1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 126462774
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 45186686
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide (CID 26320957) is N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide is Cc1ccccc1C[C@H](C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1)N(C)C(=O)Cn1cccn1.
What is the InChIKey of N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is QZACCVZZNBMXRH-WNCULLNHSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-22-10-7-8-11-25(22)20-27(31(3)28(34)21-33-17-9-16-30-33)24-14-18-32(19-15-24)29(35)23(2)36-26-12-5-4-6-13-26/h4-13,16-17,23-24,27H,14-15,18-21H2,1-3H3/t23-,27+/m0/s1.
What are the key properties of N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 488.63 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 26320957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).