(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide

C18H25N3O3 — CID 120793912

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-20(18(23)16-10-9-14(12-19)24-16)15-8-5-11-21(17(15)22)13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12,19H2,1H3/t14-,15?,16+/m1/s1
InChIKeyMVHSVLDWVGXJCV-TUOGLVOQSA-N
MW331.42 g/mol
LogP1.15
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide (PubChem CID 120793912) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide
PubChem CID120793912
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-20(18(23)16-10-9-14(12-19)24-16)15-8-5-11-21(17(15)22)13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12,19H2,1H3/t14-,15?,16+/m1/s1
InChIKeyMVHSVLDWVGXJCV-TUOGLVOQSA-N
XLogP1.15
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119792205
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
CID 119792252
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120668615
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide (CID 120793912) is (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide is CN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCN(c2ccccc2)C1=O.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide?
The InChIKey is MVHSVLDWVGXJCV-TUOGLVOQSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(18(23)16-10-9-14(12-19)24-16)15-8-5-11-21(17(15)22)13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12,19H2,1H3/t14-,15?,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120793912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).