(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide

C17H25N3O — CID 86820404

IUPAC(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2ccccc2)[C@H](C2CCNCC2)C1
InChIInChI=1S/C17H25N3O/c1-20-11-15(13-7-9-18-10-8-13)16(12-20)17(21)19-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyMDIBIFDHTFEEPA-JKSUJKDBSA-N
MW287.41 g/mol
LogP1.80
Rot. Bonds3

About (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide

(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide (PubChem CID 86820404) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide
PubChem CID86820404
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2ccccc2)[C@H](C2CCNCC2)C1
InChIInChI=1S/C17H25N3O/c1-20-11-15(13-7-9-18-10-8-13)16(12-20)17(21)19-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyMDIBIFDHTFEEPA-JKSUJKDBSA-N
XLogP1.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide (CID 86820404) is (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)Nc2ccccc2)[C@H](C2CCNCC2)C1.
What is the InChIKey of (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is MDIBIFDHTFEEPA-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-11-15(13-7-9-18-10-8-13)16(12-20)17(21)19-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,21)/t15-,16+/m0/s1.
What are the key properties of (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide?
(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86820404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).