(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

C13H26ClN3O — CID 67293748

IUPAC(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCCCC1)[C@@H]1CCNC1
InChIInChI=1S/C13H25N3O.ClH/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);1H/t12-;/m1./s1
InChIKeyKYQINMNYIJDYGG-UTONKHPSSA-N
MW275.82 g/mol
LogP1.01
Rot. Bonds5

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

(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 67293748) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID67293748
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCCCC1)[C@@H]1CCNC1
InChIInChI=1S/C13H25N3O.ClH/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);1H/t12-;/m1./s1
InChIKeyKYQINMNYIJDYGG-UTONKHPSSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.01
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-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
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 (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (CID 67293748) is (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCCCC1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KYQINMNYIJDYGG-UTONKHPSSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/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);1H/t12-;/m1./s1.
What are the key properties of (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67293748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).