N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride

C14H31Cl2N3O — CID 119852526

IUPACN-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-3-17(4-2)12-6-5-9-16-14(18)13-7-10-15-11-8-13;;/h13,15H,3-12H2,1-2H3,(H,16,18);2*1H
InChIKeyFBZZHMOOXSKULS-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.07
Rot. Bonds8

About N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride

N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119852526) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119852526
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC NameN-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-3-17(4-2)12-6-5-9-16-14(18)13-7-10-15-11-8-13;;/h13,15H,3-12H2,1-2H3,(H,16,18);2*1H
InChIKeyFBZZHMOOXSKULS-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
N-[3-(diethylamino)propyl]-2-piperidin-4-ylacetamide
CID 24707221
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride (CID 119852526) is N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride is CCN(CC)CCCCNC(=O)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is FBZZHMOOXSKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-3-17(4-2)12-6-5-9-16-14(18)13-7-10-15-11-8-13;;/h13,15H,3-12H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride?
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119852526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).