(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide

C14H24N6O2 — CID 126450610

IUPAC(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)NCCCc2nn[nH]n2)CCC1=O
InChIInChI=1S/C14H24N6O2/c1-10(2)8-20-9-11(5-6-13(20)21)14(22)15-7-3-4-12-16-18-19-17-12/h10-11H,3-9H2,1-2H3,(H,15,22)(H,16,17,18,19)/t11-/m1/s1
InChIKeyPLNXYUCPZCEYGJ-LLVKDONJSA-N
MW308.39 g/mol
LogP0.14
Rot. Bonds7

About (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide

(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide (PubChem CID 126450610) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
PubChem CID126450610
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)NCCCc2nn[nH]n2)CCC1=O
InChIInChI=1S/C14H24N6O2/c1-10(2)8-20-9-11(5-6-13(20)21)14(22)15-7-3-4-12-16-18-19-17-12/h10-11H,3-9H2,1-2H3,(H,15,22)(H,16,17,18,19)/t11-/m1/s1
InChIKeyPLNXYUCPZCEYGJ-LLVKDONJSA-N
XLogP0.14
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide (CID 126450610) is (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide is CC(C)CN1C[C@H](C(=O)NCCCc2nn[nH]n2)CCC1=O.
What is the InChIKey of (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
The InChIKey is PLNXYUCPZCEYGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-10(2)8-20-9-11(5-6-13(20)21)14(22)15-7-3-4-12-16-18-19-17-12/h10-11H,3-9H2,1-2H3,(H,15,22)(H,16,17,18,19)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 126450610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).