1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C17H31N5O2 — CID 5298660

IUPAC1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)CN2CCNCC2)CC1
InChIInChI=1S/C17H31N5O2/c18-16(24)17(22-8-2-1-3-9-22)4-10-21(11-5-17)15(23)14-20-12-6-19-7-13-20/h19H,1-14H2,(H2,18,24)
InChIKeyNZBJSSQOJIPFQA-UHFFFAOYSA-N
MW337.47 g/mol
LogP-0.78
Rot. Bonds4

About 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 5298660) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID5298660
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)CN2CCNCC2)CC1
InChIInChI=1S/C17H31N5O2/c18-16(24)17(22-8-2-1-3-9-22)4-10-21(11-5-17)15(23)14-20-12-6-19-7-13-20/h19H,1-14H2,(H2,18,24)
InChIKeyNZBJSSQOJIPFQA-UHFFFAOYSA-N
XLogP-0.78
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 5298660) is 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=O)CN2CCNCC2)CC1.
What is the InChIKey of 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is NZBJSSQOJIPFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c18-16(24)17(22-8-2-1-3-9-22)4-10-21(11-5-17)15(23)14-20-12-6-19-7-13-20/h19H,1-14H2,(H2,18,24).
What are the key properties of 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylacetyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 5298660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).