N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C17H31N3O3 — CID 120891077

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOCC1(CNC(=O)C(C(C)C)N2CCCC2=O)CCNCC1
InChIInChI=1S/C17H31N3O3/c1-13(2)15(20-10-4-5-14(20)21)16(22)19-11-17(12-23-3)6-8-18-9-7-17/h13,15,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyUPBFDIMJZSONBV-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.77
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 120891077) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID120891077
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOCC1(CNC(=O)C(C(C)C)N2CCCC2=O)CCNCC1
InChIInChI=1S/C17H31N3O3/c1-13(2)15(20-10-4-5-14(20)21)16(22)19-11-17(12-23-3)6-8-18-9-7-17/h13,15,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyUPBFDIMJZSONBV-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 120891077) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is COCC1(CNC(=O)C(C(C)C)N2CCCC2=O)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is UPBFDIMJZSONBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(2)15(20-10-4-5-14(20)21)16(22)19-11-17(12-23-3)6-8-18-9-7-17/h13,15,18H,4-12H2,1-3H3,(H,19,22).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 325.45 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 120891077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).