[4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone

C16H28N4O2 — CID 13300483

IUPAC[4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C16H28N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h13-14,17-18H,1-12H2
InChIKeyXCEPOYMJBZQVMR-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.34
Rot. Bonds2

About [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone

[4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 13300483) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID13300483
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name[4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C16H28N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h13-14,17-18H,1-12H2
InChIKeyXCEPOYMJBZQVMR-UHFFFAOYSA-N
XLogP-0.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone (CID 13300483) is [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is XCEPOYMJBZQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h13-14,17-18H,1-12H2.
What are the key properties of [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
[4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 308.43 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 13300483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).