2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide

C25H33N3O3 — CID 146619957

IUPAC2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide
SMILESCOCC(CNC(=O)c1ccccc1O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C25H33N3O3/c1-31-17-20(16-26-25(30)21-9-5-6-10-24(21)29)28-13-11-19(12-14-28)27-23-15-22(23)18-7-3-2-4-8-18/h2-10,19-20,22-23,27,29H,11-17H2,1H3,(H,26,30)/t20?,22-,23+/m0/s1
InChIKeyIYVCFAVEJXQFDQ-XGELLPRESA-N
MW423.56 g/mol
LogP2.75
Rot. Bonds9

About 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide

2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide (PubChem CID 146619957) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide
PubChem CID146619957
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide
SMILESCOCC(CNC(=O)c1ccccc1O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C25H33N3O3/c1-31-17-20(16-26-25(30)21-9-5-6-10-24(21)29)28-13-11-19(12-14-28)27-23-15-22(23)18-7-3-2-4-8-18/h2-10,19-20,22-23,27,29H,11-17H2,1H3,(H,26,30)/t20?,22-,23+/m0/s1
InChIKeyIYVCFAVEJXQFDQ-XGELLPRESA-N
XLogP2.75
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide with MolForge

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Related Compounds

1-[1-(4-bromophenoxy)butan-2-yl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 175179470
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
CID 129279650
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
[3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1,3-thiazol-4-ylmethyl)azetidin-3-yl] acetate
CID 146444517
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone
CID 149207123

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide?
The IUPAC name of 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide (CID 146619957) is 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide is COCC(CNC(=O)c1ccccc1O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide?
The InChIKey is IYVCFAVEJXQFDQ-XGELLPRESA-N. The full InChI is InChI=1S/C25H33N3O3/c1-31-17-20(16-26-25(30)21-9-5-6-10-24(21)29)28-13-11-19(12-14-28)27-23-15-22(23)18-7-3-2-4-8-18/h2-10,19-20,22-23,27,29H,11-17H2,1H3,(H,26,30)/t20?,22-,23+/m0/s1.
What are the key properties of 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide?
2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-methoxy-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 146619957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).