[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate

C20H29N3O4 — CID 142677588

IUPAC[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)Oc2ccc(C[C@H](N)C(=O)OC3CCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-22-10-12-23(13-11-22)20(25)27-17-8-6-15(7-9-17)14-18(21)19(24)26-16-4-2-3-5-16/h6-9,16,18H,2-5,10-14,21H2,1H3/t18-/m0/s1
InChIKeyIQQSFAUFPCOFNG-SFHVURJKSA-N
MW375.47 g/mol
LogP1.79
Rot. Bonds5

About [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate

[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate (PubChem CID 142677588) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate
PubChem CID142677588
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)Oc2ccc(C[C@H](N)C(=O)OC3CCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-22-10-12-23(13-11-22)20(25)27-17-8-6-15(7-9-17)14-18(21)19(24)26-16-4-2-3-5-16/h6-9,16,18H,2-5,10-14,21H2,1H3/t18-/m0/s1
InChIKeyIQQSFAUFPCOFNG-SFHVURJKSA-N
XLogP1.79
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate with MolForge

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Related Compounds

[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-acetylpiperazine-1-carboxylate
CID 142677574
[4-[(2S)-3-cyclopentyloxy-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate
CID 10349008
[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-methylpiperidine-1-carboxylate
CID 139930508
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 141006168
[4-[(2S)-2-[[2-(methylamino)acetyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate
CID 90830011
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
cyclobutyl 4-methylpiperazine-1-carboxylate
CID 131024600

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate?
The IUPAC name of [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate (CID 142677588) is [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)Oc2ccc(C[C@H](N)C(=O)OC3CCCC3)cc2)CC1.
What is the InChIKey of [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate?
The InChIKey is IQQSFAUFPCOFNG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-22-10-12-23(13-11-22)20(25)27-17-8-6-15(7-9-17)14-18(21)19(24)26-16-4-2-3-5-16/h6-9,16,18H,2-5,10-14,21H2,1H3/t18-/m0/s1.
What are the key properties of [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate?
[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 142677588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).