N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide

C16H29N3O4 — CID 120888945

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCOCC1(CNC(=O)CCC(=O)N2CCOCC2)CCNCC1
InChIInChI=1S/C16H29N3O4/c1-22-13-16(4-6-17-7-5-16)12-18-14(20)2-3-15(21)19-8-10-23-11-9-19/h17H,2-13H2,1H3,(H,18,20)
InChIKeyDZSKQKGZJANGJV-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.24
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 120888945) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID120888945
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCOCC1(CNC(=O)CCC(=O)N2CCOCC2)CCNCC1
InChIInChI=1S/C16H29N3O4/c1-22-13-16(4-6-17-7-5-16)12-18-14(20)2-3-15(21)19-8-10-23-11-9-19/h17H,2-13H2,1H3,(H,18,20)
InChIKeyDZSKQKGZJANGJV-UHFFFAOYSA-N
XLogP-0.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide (CID 120888945) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide is COCC1(CNC(=O)CCC(=O)N2CCOCC2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is DZSKQKGZJANGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-22-13-16(4-6-17-7-5-16)12-18-14(20)2-3-15(21)19-8-10-23-11-9-19/h17H,2-13H2,1H3,(H,18,20).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 327.43 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 120888945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).