(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

C16H27N3O3 — CID 97040965

IUPAC(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1
InChIInChI=1S/C16H27N3O3/c1-18-6-2-13(3-7-18)17-16(21)12-10-15(20)19(11-12)14-4-8-22-9-5-14/h12-14H,2-11H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyNRIBBZNUMCXONC-GFCCVEGCSA-N
MW309.41 g/mol
LogP0.22
Rot. Bonds3

About (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97040965) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97040965
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1
InChIInChI=1S/C16H27N3O3/c1-18-6-2-13(3-7-18)17-16(21)12-10-15(20)19(11-12)14-4-8-22-9-5-14/h12-14H,2-11H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyNRIBBZNUMCXONC-GFCCVEGCSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95164310
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110687491
N-(2-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567869
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110411749
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567769

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 97040965) is (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is CN1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1.
What is the InChIKey of (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NRIBBZNUMCXONC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-18-6-2-13(3-7-18)17-16(21)12-10-15(20)19(11-12)14-4-8-22-9-5-14/h12-14H,2-11H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97040965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).