methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate

C17H23N3O5 — CID 70760409

IUPACmethyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C17H23N3O5/c1-12(18-17(23)25-3)16(22)20-9-8-19(15(21)11-20)10-13-4-6-14(24-2)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,23)
InChIKeyDLQVHUWZNFVDIK-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.61
Rot. Bonds5

About methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate

methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 70760409) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID70760409
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Namemethyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C17H23N3O5/c1-12(18-17(23)25-3)16(22)20-9-8-19(15(21)11-20)10-13-4-6-14(24-2)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,23)
InChIKeyDLQVHUWZNFVDIK-UHFFFAOYSA-N
XLogP0.61
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[(2R)-1-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96572112
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086
1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 70713784
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 70774111
4-(3-amino-2-methylbutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120501277
ethyl 4-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propanoyl]piperazine-1-carboxylate
CID 110348526
tert-butyl N-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560757
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
1-[2-(4-chloro-2-methylphenoxy)propanoyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 45218844

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate (CID 70760409) is methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1.
What is the InChIKey of methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is DLQVHUWZNFVDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-12(18-17(23)25-3)16(22)20-9-8-19(15(21)11-20)10-13-4-6-14(24-2)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,23).
What are the key properties of methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 70760409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).