(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide

C16H31N3O3 — CID 100856545

IUPAC(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
SMILESCC(C)CO[C@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C16H31N3O3/c1-12(2)11-22-13(3)16(21)18-7-5-9-19-8-4-6-14(10-19)15(17)20/h12-14H,4-11H2,1-3H3,(H2,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyDODXLEWPTBIEOH-ZIAGYGMSSA-N
MW313.44 g/mol
LogP0.75
Rot. Bonds9

About (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide (PubChem CID 100856545) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
PubChem CID100856545
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
SMILESCC(C)CO[C@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C16H31N3O3/c1-12(2)11-22-13(3)16(21)18-7-5-9-19-8-4-6-14(10-19)15(17)20/h12-14H,4-11H2,1-3H3,(H2,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyDODXLEWPTBIEOH-ZIAGYGMSSA-N
XLogP0.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[3-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111608950
(3S)-1-[3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide
CID 126435582
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
CID 110951080
(3R)-1-[3-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]propyl]piperidine-3-carboxamide
CID 126440954
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110951079
1-[3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]propyl]piperidine-3-carboxamide
CID 111235615
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide (CID 100856545) is (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide is CC(C)CO[C@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide?
The InChIKey is DODXLEWPTBIEOH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-12(2)11-22-13(3)16(21)18-7-5-9-19-8-4-6-14(10-19)15(17)20/h12-14H,4-11H2,1-3H3,(H2,17,20)(H,18,21)/t13-,14-/m1/s1.
What are the key properties of (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 100856545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).