(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide

C15H26N6O3 — CID 126440954

IUPAC(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide
SMILESCc1noc(CN(C)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C15H26N6O3/c1-11-18-13(24-19-11)10-20(2)15(23)17-6-4-8-21-7-3-5-12(9-21)14(16)22/h12H,3-10H2,1-2H3,(H2,16,22)(H,17,23)/t12-/m1/s1
InChIKeyXKUJAKRTSVDBRG-GFCCVEGCSA-N
MW338.41 g/mol
LogP0.11
Rot. Bonds7

About (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide (PubChem CID 126440954) has the molecular formula C15H26N6O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide
PubChem CID126440954
Molecular FormulaC15H26N6O3
Molecular Weight338.41 g/mol
Exact Mass338.21
IUPAC Name(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide
SMILESCc1noc(CN(C)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C15H26N6O3/c1-11-18-13(24-19-11)10-20(2)15(23)17-6-4-8-21-7-3-5-12(9-21)14(16)22/h12H,3-10H2,1-2H3,(H2,16,22)(H,17,23)/t12-/m1/s1
InChIKeyXKUJAKRTSVDBRG-GFCCVEGCSA-N
XLogP0.11
TPSA117.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide
CID 126435582
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
1-[3-[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 109428450
(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
CID 100856545
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
CID 110951080
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110951079
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72862945
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
1-[3-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111608950
1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 72854350

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide (CID 126440954) is (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide is Cc1noc(CN(C)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)n1.
What is the InChIKey of (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide?
The InChIKey is XKUJAKRTSVDBRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N6O3/c1-11-18-13(24-19-11)10-20(2)15(23)17-6-4-8-21-7-3-5-12(9-21)14(16)22/h12H,3-10H2,1-2H3,(H2,16,22)(H,17,23)/t12-/m1/s1.
What are the key properties of (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 126440954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).