(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide

C15H29N3O2 — CID 100840842

IUPAC(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
SMILESCCC[C@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C15H29N3O2/c1-3-6-12(2)15(20)17-8-5-10-18-9-4-7-13(11-18)14(16)19/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)/t12-,13+/m0/s1
InChIKeyMCZMVYUTOLBUSK-QWHCGFSZSA-N
MW283.42 g/mol
LogP1.13
Rot. Bonds8

About (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide (PubChem CID 100840842) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
PubChem CID100840842
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
SMILESCCC[C@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C15H29N3O2/c1-3-6-12(2)15(20)17-8-5-10-18-9-4-7-13(11-18)14(16)19/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)/t12-,13+/m0/s1
InChIKeyMCZMVYUTOLBUSK-QWHCGFSZSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
CID 100856545
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
1-[3-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111608950
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
1-[3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111091537
1-[3-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111370234
1-[3-[[N-ethyl-N'-(2-phenylsulfanylpropyl)carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111677012
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide (CID 100840842) is (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide is CCC[C@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide?
The InChIKey is MCZMVYUTOLBUSK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-6-12(2)15(20)17-8-5-10-18-9-4-7-13(11-18)14(16)19/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)/t12-,13+/m0/s1.
What are the key properties of (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 100840842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).