(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide

C20H32N6O3 — CID 122184249

IUPAC(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCCCc1ncc(C[C@H](NC(=O)[C@H]2CCCCN2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIInChI=1S/C20H32N6O3/c1-2-6-17-23-12-13(24-17)11-15(25-19(28)14-7-3-4-9-22-14)20(29)26-10-5-8-16(26)18(21)27/h12,14-16,22H,2-11H2,1H3,(H2,21,27)(H,23,24)(H,25,28)/t14-,15+,16+/m1/s1
InChIKeyYXHCUIOHWCJISX-PMPSAXMXSA-N
MW404.52 g/mol
LogP0.01
Rot. Bonds8

About (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide

(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 122184249) has the molecular formula C20H32N6O3 and a molecular weight of 404.52 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide
PubChem CID122184249
Molecular FormulaC20H32N6O3
Molecular Weight404.52 g/mol
Exact Mass404.25
IUPAC Name(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCCCc1ncc(C[C@H](NC(=O)[C@H]2CCCCN2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIInChI=1S/C20H32N6O3/c1-2-6-17-23-12-13(24-17)11-15(25-19(28)14-7-3-4-9-22-14)20(29)26-10-5-8-16(26)18(21)27/h12,14-16,22H,2-11H2,1H3,(H2,21,27)(H,23,24)(H,25,28)/t14-,15+,16+/m1/s1
InChIKeyYXHCUIOHWCJISX-PMPSAXMXSA-N
XLogP0.01
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide with MolForge

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Related Compounds

Protirelin
CID 638678
Taltirelin
CID 114750
Adh-1
CID 9916058
Cyclo(his-pro)
CID 449094
Histidylproline
CID 152322
Azetirelin
CID 65841
Histidyl-proline diketopiperazine
CID 65137
Lys-His-Lys
CID 444445
Ac-Ala-Val-Cha-His-al
CID 56850859
His-Gly zwitterion
CID 7009645
Histidylproline zwitterion
CID 11902993
Montirelin
CID 6917793

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide (CID 122184249) is (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide is CCCc1ncc(C[C@H](NC(=O)[C@H]2CCCCN2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1.
What is the InChIKey of (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is YXHCUIOHWCJISX-PMPSAXMXSA-N. The full InChI is InChI=1S/C20H32N6O3/c1-2-6-17-23-12-13(24-17)11-15(25-19(28)14-7-3-4-9-22-14)20(29)26-10-5-8-16(26)18(21)27/h12,14-16,22H,2-11H2,1H3,(H2,21,27)(H,23,24)(H,25,28)/t14-,15+,16+/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide?
(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 122184249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).