[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium

C23H37N4O3+ — CID 7093568

IUPAC[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium
SMILESCC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/p+1/t16-,17+,20+/m1/s1
InChIKeyJBFBADKGGFXWLW-UWVAXJGDSA-O
MW417.57 g/mol
LogP1.26
Rot. Bonds8

About [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium

[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium (PubChem CID 7093568) has the molecular formula C23H37N4O3+ and a molecular weight of 417.57 g/mol. Its IUPAC name is [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium
PubChem CID7093568
Molecular FormulaC23H37N4O3+
Molecular Weight417.57 g/mol
Exact Mass417.29
IUPAC Name[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium
SMILESCC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/p+1/t16-,17+,20+/m1/s1
InChIKeyJBFBADKGGFXWLW-UWVAXJGDSA-O
XLogP1.26
TPSA106.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]piperidine-4-carboxamide
CID 7093569
1-(2-amino-3-methylbutanoyl)-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 4836547
tert-butyl N-[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]carbamate
CID 40872406
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 7064725
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]piperidine-4-carboxamide
CID 40872505
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium?
The IUPAC name of [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium (CID 7093568) is [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium.
What is the SMILES notation for [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium?
The canonical SMILES for [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium is CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1.
What is the InChIKey of [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium?
The InChIKey is JBFBADKGGFXWLW-UWVAXJGDSA-O. The full InChI is InChI=1S/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/p+1/t16-,17+,20+/m1/s1.
What are the key properties of [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium?
[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium has a molecular weight of 417.57 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium is sourced from PubChem (CID 7093568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).