N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide

C20H29N3O2 — CID 86268865

IUPACN,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)[C@H](CN2CCCCC2)c2ccccc2)CC1=O
InChIInChI=1S/C20H29N3O2/c1-21-14-17(13-19(21)24)20(25)22(2)18(16-9-5-3-6-10-16)15-23-11-7-4-8-12-23/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t17?,18-/m1/s1
InChIKeyKZUHYRJBEQZTQY-QRWMCTBCSA-N
MW343.47 g/mol
LogP2.15
Rot. Bonds5

About N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide

N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide (PubChem CID 86268865) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
PubChem CID86268865
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)[C@H](CN2CCCCC2)c2ccccc2)CC1=O
InChIInChI=1S/C20H29N3O2/c1-21-14-17(13-19(21)24)20(25)22(2)18(16-9-5-3-6-10-16)15-23-11-7-4-8-12-23/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t17?,18-/m1/s1
InChIKeyKZUHYRJBEQZTQY-QRWMCTBCSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide (CID 86268865) is N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)N(C)[C@H](CN2CCCCC2)c2ccccc2)CC1=O.
What is the InChIKey of N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide?
The InChIKey is KZUHYRJBEQZTQY-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-21-14-17(13-19(21)24)20(25)22(2)18(16-9-5-3-6-10-16)15-23-11-7-4-8-12-23/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide?
N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 86268865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).