[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate

C25H32N4O4 — CID 91165724

IUPAC[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCC2(NC(=O)Cc3ccccc3)CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C25H32N4O4/c1-2-19-8-10-21(11-9-19)27-24(32)33-18-25(12-14-29(15-13-25)23(31)17-26)28-22(30)16-20-6-4-3-5-7-20/h3-11H,2,12-18,26H2,1H3,(H,27,32)(H,28,30)
InChIKeyMQSISLFIABNRCH-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.48
Rot. Bonds8

About [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate

[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate (PubChem CID 91165724) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
PubChem CID91165724
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCC2(NC(=O)Cc3ccccc3)CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C25H32N4O4/c1-2-19-8-10-21(11-9-19)27-24(32)33-18-25(12-14-29(15-13-25)23(31)17-26)28-22(30)16-20-6-4-3-5-7-20/h3-11H,2,12-18,26H2,1H3,(H,27,32)(H,28,30)
InChIKeyMQSISLFIABNRCH-UHFFFAOYSA-N
XLogP2.48
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-amino-2-methylpropanoyl)-4-[[2-(2-chlorophenyl)acetyl]amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 25024829
[1-(2-aminoacetyl)-4-[(2-bromophenyl)methylcarbamoyl]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 59778466
2-[1-(2-aminoacetyl)-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]ethyl N-(4-ethylphenyl)carbamate
CID 59778578
[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate
CID 69163088
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
1-(2-aminoacetyl)-4-[[(4-ethylbenzoyl)amino]oxymethyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide
CID 91555277
1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide
CID 25025220
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[1-(2-aminoacetyl)-4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]piperidin-4-yl]methyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 59778427
[4-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]-1-(4-amino-2-hydroxybutanoyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 69163369
[4-[(2-chlorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 59778503

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate?
The IUPAC name of [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate (CID 91165724) is [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate.
What is the SMILES notation for [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate?
The canonical SMILES for [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCC2(NC(=O)Cc3ccccc3)CCN(C(=O)CN)CC2)cc1.
What is the InChIKey of [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate?
The InChIKey is MQSISLFIABNRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-2-19-8-10-21(11-9-19)27-24(32)33-18-25(12-14-29(15-13-25)23(31)17-26)28-22(30)16-20-6-4-3-5-7-20/h3-11H,2,12-18,26H2,1H3,(H,27,32)(H,28,30).
What are the key properties of [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate?
[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate has a molecular weight of 452.56 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 91165724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).