N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide

C21H33N3O2 — CID 133266894

IUPACN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)24-13-19(20(14-24)26-3)22-21(25)15-23-11-9-18(10-12-23)17-7-5-4-6-8-17/h4-8,16,18-20H,9-15H2,1-3H3,(H,22,25)/t19-,20-/m1/s1
InChIKeyUIKOLJURXGKGEL-WOJBJXKFSA-N
MW359.51 g/mol
LogP2.09
Rot. Bonds6

About N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 133266894) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID133266894
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)24-13-19(20(14-24)26-3)22-21(25)15-23-11-9-18(10-12-23)17-7-5-4-6-8-17/h4-8,16,18-20H,9-15H2,1-3H3,(H,22,25)/t19-,20-/m1/s1
InChIKeyUIKOLJURXGKGEL-WOJBJXKFSA-N
XLogP2.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118782539
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91776740
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91768208
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
methyl 1-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
CID 162272059
N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95321250
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide
CID 131923261
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826194
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride
CID 154898487

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 133266894) is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide is CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is UIKOLJURXGKGEL-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)24-13-19(20(14-24)26-3)22-21(25)15-23-11-9-18(10-12-23)17-7-5-4-6-8-17/h4-8,16,18-20H,9-15H2,1-3H3,(H,22,25)/t19-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 133266894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).