[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid

C19H27N3O5 — CID 70034589

IUPAC[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)O)CC2)cc1
InChIInChI=1S/C19H27N3O5/c1-14(20-19(25)26)18(24)22-11-9-21(10-12-22)8-3-13-27-17-6-4-16(5-7-17)15(2)23/h4-7,14,20H,3,8-13H2,1-2H3,(H,25,26)/t14-/m1/s1
InChIKeyITLDXTZBPNFRKW-CQSZACIVSA-N
MW377.44 g/mol
LogP1.46
Rot. Bonds8

About [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 70034589) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
PubChem CID70034589
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)O)CC2)cc1
InChIInChI=1S/C19H27N3O5/c1-14(20-19(25)26)18(24)22-11-9-21(10-12-22)8-3-13-27-17-6-4-16(5-7-17)15(2)23/h4-7,14,20H,3,8-13H2,1-2H3,(H,25,26)/t14-/m1/s1
InChIKeyITLDXTZBPNFRKW-CQSZACIVSA-N
XLogP1.46
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-[4-[3-(4-bromophenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70031570
4-bromo-N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 70032825
N-[1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 86977373
[(2S)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 70035075
[(2R)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 70032023
N-[1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylbenzamide
CID 18540008
N-[(2R)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 39911529
[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid
CID 70032568
tert-butyl N-[(2R)-1-[4-[3-[4-(4-cyanophenyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 91439615
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
(2S)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 12016525

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid (CID 70034589) is [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid is CC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)O)CC2)cc1.
What is the InChIKey of [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is ITLDXTZBPNFRKW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-14(20-19(25)26)18(24)22-11-9-21(10-12-22)8-3-13-27-17-6-4-16(5-7-17)15(2)23/h4-7,14,20H,3,8-13H2,1-2H3,(H,25,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 377.44 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70034589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).