N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119835547

IUPACN-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCCCC1)C1CCNC1
InChIInChI=1S/C13H25N3O.2ClH/c17-13(12-5-7-14-11-12)15-6-4-10-16-8-2-1-3-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H
InChIKeyHJUXDVFPCBFBGY-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride

N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119835547) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119835547
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC NameN-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCCCC1)C1CCNC1
InChIInChI=1S/C13H25N3O.2ClH/c17-13(12-5-7-14-11-12)15-6-4-10-16-8-2-1-3-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H
InChIKeyHJUXDVFPCBFBGY-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.43
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

(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901292

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 119835547) is N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCCCC1)C1CCNC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is HJUXDVFPCBFBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c17-13(12-5-7-14-11-12)15-6-4-10-16-8-2-1-3-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H.
What are the key properties of N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride?
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119835547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).