(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride

C13H25Cl2N3O — CID 119879117

IUPAC(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESC=CCN1CCC(NC(=O)[C@@H]2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H23N3O.2ClH/c1-2-8-16-9-5-11(6-10-16)15-13(17)12-4-3-7-14-12;;/h2,11-12,14H,1,3-10H2,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyOTJHBJVREHJDAT-LTCKWSDVSA-N
MW310.27 g/mol
LogP1.35
Rot. Bonds4

About (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride

(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119879117) has the molecular formula C13H25Cl2N3O and a molecular weight of 310.27 g/mol. Its IUPAC name is (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119879117
Molecular FormulaC13H25Cl2N3O
Molecular Weight310.27 g/mol
Exact Mass309.14
IUPAC Name(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESC=CCN1CCC(NC(=O)[C@@H]2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H23N3O.2ClH/c1-2-8-16-9-5-11(6-10-16)15-13(17)12-4-3-7-14-12;;/h2,11-12,14H,1,3-10H2,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyOTJHBJVREHJDAT-LTCKWSDVSA-N
XLogP1.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 103813420
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
CID 64564001
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-(1-butylpiperidin-4-yl)azepane-2-carboxamide
CID 64561841
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119864828
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
N-cyclopentylazepane-2-carboxamide
CID 64564743
3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 119879095

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119879117) is (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride is C=CCN1CCC(NC(=O)[C@@H]2CCCN2)CC1.Cl.Cl.
What is the InChIKey of (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is OTJHBJVREHJDAT-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H23N3O.2ClH/c1-2-8-16-9-5-11(6-10-16)15-13(17)12-4-3-7-14-12;;/h2,11-12,14H,1,3-10H2,(H,15,17);2*1H/t12-;;/m0../s1.
What are the key properties of (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 310.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119879117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).