3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide

C17H34N4O2+2 — CID 7226771

IUPAC3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide
SMILESO=C(CC[NH+]1CCCCC1)NCNC(=O)CC[NH+]1CCCCC1
InChIInChI=1S/C17H32N4O2/c22-16(7-13-20-9-3-1-4-10-20)18-15-19-17(23)8-14-21-11-5-2-6-12-21/h1-15H2,(H,18,22)(H,19,23)/p+2
InChIKeyRQSAHFQPGVDELO-UHFFFAOYSA-P
MW326.49 g/mol
LogP-1.91
Rot. Bonds8

About 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide

3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide (PubChem CID 7226771) has the molecular formula C17H34N4O2+2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide.

Molecular Properties

Compound Name3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide
PubChem CID7226771
Molecular FormulaC17H34N4O2+2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide
SMILESO=C(CC[NH+]1CCCCC1)NCNC(=O)CC[NH+]1CCCCC1
InChIInChI=1S/C17H32N4O2/c22-16(7-13-20-9-3-1-4-10-20)18-15-19-17(23)8-14-21-11-5-2-6-12-21/h1-15H2,(H,18,22)(H,19,23)/p+2
InChIKeyRQSAHFQPGVDELO-UHFFFAOYSA-P
XLogP-1.91
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-nitro-3-piperidin-1-ium-1-ylpropylidene)-dioxidoazanium
CID 134862454
N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4745825
N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
1-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
CID 46743523
[2,6-di(propan-2-yl)phenyl] 4-oxo-4-(2-piperidin-1-ium-1-ylethylamino)butanoate
CID 58914428
2-piperidin-1-ium-1-ylethyl 3-bromopropanoate
CID 162508067
5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
CID 7263419
4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 5235614
ethyl 3-(azetidin-1-ium-1-yl)propanoate
CID 40784863
2-piperidin-1-ium-1-ylethylazanium
CID 6919057
N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479160
N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4678806

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide?
The IUPAC name of 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide (CID 7226771) is 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide.
What is the SMILES notation for 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide?
The canonical SMILES for 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide is O=C(CC[NH+]1CCCCC1)NCNC(=O)CC[NH+]1CCCCC1.
What is the InChIKey of 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide?
The InChIKey is RQSAHFQPGVDELO-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H32N4O2/c22-16(7-13-20-9-3-1-4-10-20)18-15-19-17(23)8-14-21-11-5-2-6-12-21/h1-15H2,(H,18,22)(H,19,23)/p+2.
What are the key properties of 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide?
3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide has a molecular weight of 326.49 g/mol, XLogP of -1.91, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide is sourced from PubChem (CID 7226771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).