piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid

C15H31N3O3 — CID 68546957

IUPACpiperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1
InChIInChI=1S/C9H19NO2.C6H12N2O/c1-4-6-10(8(2)3)7-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h8H,4-7H2,1-3H3,(H,11,12);1-5H2,(H2,7,9)
InChIKeyPLSGCKANRYELAP-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.13
Rot. Bonds6

About piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid

piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid (PubChem CID 68546957) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Namepiperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid
PubChem CID68546957
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Namepiperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1
InChIInChI=1S/C9H19NO2.C6H12N2O/c1-4-6-10(8(2)3)7-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h8H,4-7H2,1-3H3,(H,11,12);1-5H2,(H2,7,9)
InChIKeyPLSGCKANRYELAP-UHFFFAOYSA-N
XLogP2.13
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid?
The IUPAC name of piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid (CID 68546957) is piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid.
What is the SMILES notation for piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid?
The canonical SMILES for piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid is CCCN(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1.
What is the InChIKey of piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid?
The InChIKey is PLSGCKANRYELAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C6H12N2O/c1-4-6-10(8(2)3)7-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h8H,4-7H2,1-3H3,(H,11,12);1-5H2,(H2,7,9).
What are the key properties of piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid?
piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid has a molecular weight of 301.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxamide;3-[propan-2-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 68546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).