4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride

C17H25ClF2N4O — CID 120955109

IUPAC4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(c1ccncc1)N1CCC(NC(=O)C2CC(F)(F)CN2)CC1.Cl
InChIInChI=1S/C17H24F2N4O.ClH/c1-12(13-2-6-20-7-3-13)23-8-4-14(5-9-23)22-16(24)15-10-17(18,19)11-21-15;/h2-3,6-7,12,14-15,21H,4-5,8-11H2,1H3,(H,22,24);1H
InChIKeyRXJBSOYJEGBXMG-UHFFFAOYSA-N
MW374.86 g/mol
LogP2.14
Rot. Bonds4

About 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955109) has the molecular formula C17H25ClF2N4O and a molecular weight of 374.86 g/mol. Its IUPAC name is 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955109
Molecular FormulaC17H25ClF2N4O
Molecular Weight374.86 g/mol
Exact Mass374.17
IUPAC Name4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(c1ccncc1)N1CCC(NC(=O)C2CC(F)(F)CN2)CC1.Cl
InChIInChI=1S/C17H24F2N4O.ClH/c1-12(13-2-6-20-7-3-13)23-8-4-14(5-9-23)22-16(24)15-10-17(18,19)11-21-15;/h2-3,6-7,12,14-15,21H,4-5,8-11H2,1H3,(H,22,24);1H
InChIKeyRXJBSOYJEGBXMG-UHFFFAOYSA-N
XLogP2.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 120955109) is 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(c1ccncc1)N1CCC(NC(=O)C2CC(F)(F)CN2)CC1.Cl.
What is the InChIKey of 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RXJBSOYJEGBXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O.ClH/c1-12(13-2-6-20-7-3-13)23-8-4-14(5-9-23)22-16(24)15-10-17(18,19)11-21-15;/h2-3,6-7,12,14-15,21H,4-5,8-11H2,1H3,(H,22,24);1H.
What are the key properties of 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 374.86 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).