tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate

C21H31N3O4 — CID 108916770

IUPACtert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cccc(CC(=O)NC2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C21H31N3O4/c1-15-6-5-7-16(12-15)13-18(25)23-17-8-10-24(11-9-17)19(26)14-22-20(27)28-21(2,3)4/h5-7,12,17H,8-11,13-14H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyRXHCFXIHFMJUDB-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 108916770) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID108916770
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Nametert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cccc(CC(=O)NC2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C21H31N3O4/c1-15-6-5-7-16(12-15)13-18(25)23-17-8-10-24(11-9-17)19(26)14-22-20(27)28-21(2,3)4/h5-7,12,17H,8-11,13-14H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyRXHCFXIHFMJUDB-UHFFFAOYSA-N
XLogP2.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919706
tert-butyl N-[2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916782
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
tert-butyl N-[2-[4-[3-(2-chlorophenyl)propanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916790
tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108553401
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
tert-butyl N-[2-[4-[3-(3,4-dimethoxyphenyl)propanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108556444
tert-butyl N-[2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108916060
tert-butyl N-[3-(3-methylphenyl)-2-oxopropyl]carbamate
CID 59029479
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate (CID 108916770) is tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate is Cc1cccc(CC(=O)NC2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is RXHCFXIHFMJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-15-6-5-7-16(12-15)13-18(25)23-17-8-10-24(11-9-17)19(26)14-22-20(27)28-21(2,3)4/h5-7,12,17H,8-11,13-14H2,1-4H3,(H,22,27)(H,23,25).
What are the key properties of tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 389.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 108916770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).