(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C18H29N3O2 — CID 9348561

IUPAC(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-15(2)19-18(22)16(3)21-11-9-20(10-12-21)13-14-23-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyHXOGNSPRABHBCD-MRXNPFEDSA-N
MW319.45 g/mol
LogP1.60
Rot. Bonds7

About (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 9348561) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID9348561
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-15(2)19-18(22)16(3)21-11-9-20(10-12-21)13-14-23-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyHXOGNSPRABHBCD-MRXNPFEDSA-N
XLogP1.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
N-(2-bromo-4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 55432352
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474
(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide
CID 30622027
N-cyclohexyl-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792835
N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
CID 77012516

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 9348561) is (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is HXOGNSPRABHBCD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)19-18(22)16(3)21-11-9-20(10-12-21)13-14-23-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 9348561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).