1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide

C27H36N4O4 — CID 25025220

IUPAC1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(N)=O)c(OCC2(C(=O)NCc3ccccc3CC)CCN(C(=O)CN)CC2)c1
InChIInChI=1S/C27H36N4O4/c1-3-19-9-10-22(25(29)33)23(15-19)35-18-27(11-13-31(14-12-27)24(32)16-28)26(34)30-17-21-8-6-5-7-20(21)4-2/h5-10,15H,3-4,11-14,16-18,28H2,1-2H3,(H2,29,33)(H,30,34)
InChIKeyDLMDQHJHFXZZLR-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.17
Rot. Bonds10

About 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide

1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 25025220) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide
PubChem CID25025220
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(C(N)=O)c(OCC2(C(=O)NCc3ccccc3CC)CCN(C(=O)CN)CC2)c1
InChIInChI=1S/C27H36N4O4/c1-3-19-9-10-22(25(29)33)23(15-19)35-18-27(11-13-31(14-12-27)24(32)16-28)26(34)30-17-21-8-6-5-7-20(21)4-2/h5-10,15H,3-4,11-14,16-18,28H2,1-2H3,(H2,29,33)(H,30,34)
InChIKeyDLMDQHJHFXZZLR-UHFFFAOYSA-N
XLogP2.17
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoacetyl)-4-[[(4-ethylbenzoyl)amino]oxymethyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide
CID 91555277
[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)-N-[(4-chlorophenyl)methyl]-4-[[(4-ethylbenzoyl)amino]oxymethyl]piperidine-4-carboxamide
CID 91147980
1-(2-aminoacetyl)-N-[(4-chloro-2-fluorophenyl)methyl]-4-[(4-ethyl-N-formylanilino)oxymethyl]piperidine-4-carboxamide
CID 87760524
[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 91165724
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
[1-butanoyl-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]methyl N-(4-ethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbamoyl]carbamate
CID 91330609
[1-(2-aminoacetyl)-4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]piperidin-4-yl]methyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 59778427
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
[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-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide (CID 25025220) is 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide is CCc1ccc(C(N)=O)c(OCC2(C(=O)NCc3ccccc3CC)CCN(C(=O)CN)CC2)c1.
What is the InChIKey of 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DLMDQHJHFXZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-3-19-9-10-22(25(29)33)23(15-19)35-18-27(11-13-31(14-12-27)24(32)16-28)26(34)30-17-21-8-6-5-7-20(21)4-2/h5-10,15H,3-4,11-14,16-18,28H2,1-2H3,(H2,29,33)(H,30,34).
What are the key properties of 1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide?
1-(2-aminoacetyl)-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 2.17, 10 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-carbamoyl-5-ethylphenoxy)methyl]-N-[(2-ethylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25025220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).