[5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone

C17H33N5O — CID 140643731

IUPAC[5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1NC(C(=O)N2CCN(C)CC2)CCC1C1CCNCC1N
InChIInChI=1S/C17H33N5O/c1-12-13(14-5-6-19-11-15(14)18)3-4-16(20-12)17(23)22-9-7-21(2)8-10-22/h12-16,19-20H,3-11,18H2,1-2H3
InChIKeyPIWGRFCKJKFTQI-UHFFFAOYSA-N
MW323.49 g/mol
LogP-0.55
Rot. Bonds2

About [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 140643731) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID140643731
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name[5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1NC(C(=O)N2CCN(C)CC2)CCC1C1CCNCC1N
InChIInChI=1S/C17H33N5O/c1-12-13(14-5-6-19-11-15(14)18)3-4-16(20-12)17(23)22-9-7-21(2)8-10-22/h12-16,19-20H,3-11,18H2,1-2H3
InChIKeyPIWGRFCKJKFTQI-UHFFFAOYSA-N
XLogP-0.55
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 140643731) is [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone is CC1NC(C(=O)N2CCN(C)CC2)CCC1C1CCNCC1N.
What is the InChIKey of [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PIWGRFCKJKFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-12-13(14-5-6-19-11-15(14)18)3-4-16(20-12)17(23)22-9-7-21(2)8-10-22/h12-16,19-20H,3-11,18H2,1-2H3.
What are the key properties of [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 323.49 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminopiperidin-4-yl)-6-methylpiperidin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 140643731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).