1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide

C17H34N5O2+3 — CID 7335507

IUPAC1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[NH+]2CC[NH2+]CC2)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)/p+3
InChIKeyNZBJSSQOJIPFQA-UHFFFAOYSA-Q
MW340.49 g/mol
LogP-4.64
Rot. Bonds4

About 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide

1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide (PubChem CID 7335507) has the molecular formula C17H34N5O2+3 and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide
PubChem CID7335507
Molecular FormulaC17H34N5O2+3
Molecular Weight340.49 g/mol
Exact Mass340.27
IUPAC Name1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[NH+]2CC[NH2+]CC2)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)/p+3
InChIKeyNZBJSSQOJIPFQA-UHFFFAOYSA-Q
XLogP-4.64
TPSA88.89 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 5-4.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

[1,4'-Bipiperidine]-4'-carboxamide
CID 96486
1-N-cyclohexyl-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
CID 3242636
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 127318912
(3,3-Dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
CID 123743708
1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide
CID 146369190
1-(2-Piperazinylacetyl)-4-piperidylpiperidine-4-carboxamide
CID 5298660
1-(4-Fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione
CID 155957076
(3S)-1-[(2S)-1-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 164988732
N-[3-(4-Ethylpiperazin-1-YL)propyl]-1-(piperidine-1-sulfonyl)piperidine-4-carboxamide
CID 4148490
2,2'-(1,4-piperazinediyl)bis[N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide]
CID 5186402

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide (CID 7335507) is 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide is NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[NH+]2CC[NH2+]CC2)CC1.
What is the InChIKey of 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide?
The InChIKey is NZBJSSQOJIPFQA-UHFFFAOYSA-Q. 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)/p+3.
What are the key properties of 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide?
1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide has a molecular weight of 340.49 g/mol, XLogP of -4.64, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazine-1,4-diium-1-ylacetyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 7335507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).