[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone

C14H27N3O — CID 68819882

IUPAC[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESCC(C)N1CCN(C(=O)N2CCCCC2)C[C@@H]1C
InChIInChI=1S/C14H27N3O/c1-12(2)17-10-9-16(11-13(17)3)14(18)15-7-5-4-6-8-15/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyNGBHZBUCKYLNSU-ZDUSSCGKSA-N
MW253.39 g/mol
LogP2.01
Rot. Bonds1

About [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone

[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 68819882) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID68819882
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESCC(C)N1CCN(C(=O)N2CCCCC2)C[C@@H]1C
InChIInChI=1S/C14H27N3O/c1-12(2)17-10-9-16(11-13(17)3)14(18)15-7-5-4-6-8-15/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyNGBHZBUCKYLNSU-ZDUSSCGKSA-N
XLogP2.01
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone (CID 68819882) is [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone is CC(C)N1CCN(C(=O)N2CCCCC2)C[C@@H]1C.
What is the InChIKey of [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is NGBHZBUCKYLNSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)17-10-9-16(11-13(17)3)14(18)15-7-5-4-6-8-15/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone?
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 253.39 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 68819882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).