N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide

C25H33N3O3 — CID 43039511

IUPACN-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H33N3O3/c1-19(25(30)26-22-9-10-22)28-15-13-27(14-16-28)17-23(29)18-31-24-11-7-21(8-12-24)20-5-3-2-4-6-20/h2-8,11-12,19,22-23,29H,9-10,13-18H2,1H3,(H,26,30)
InChIKeyOHJSCZGEDFQKAJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.38
Rot. Bonds9

About N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide (PubChem CID 43039511) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
PubChem CID43039511
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H33N3O3/c1-19(25(30)26-22-9-10-22)28-15-13-27(14-16-28)17-23(29)18-31-24-11-7-21(8-12-24)20-5-3-2-4-6-20/h2-8,11-12,19,22-23,29H,9-10,13-18H2,1H3,(H,26,30)
InChIKeyOHJSCZGEDFQKAJ-UHFFFAOYSA-N
XLogP2.38
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
CID 47039869
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
CID 86831832
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 87021862
N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
CID 24596406
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide (CID 43039511) is N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide?
The InChIKey is OHJSCZGEDFQKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(25(30)26-22-9-10-22)28-15-13-27(14-16-28)17-23(29)18-31-24-11-7-21(8-12-24)20-5-3-2-4-6-20/h2-8,11-12,19,22-23,29H,9-10,13-18H2,1H3,(H,26,30).
What are the key properties of N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 43039511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).