N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide

C19H30N2O2 — CID 120888204

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
SMILESCOCC1(CNC(=O)CC(C)(C)c2ccccc2)CCNCC1
InChIInChI=1S/C19H30N2O2/c1-18(2,16-7-5-4-6-8-16)13-17(22)21-14-19(15-23-3)9-11-20-12-10-19/h4-8,20H,9-15H2,1-3H3,(H,21,22)
InChIKeyOKVBRPUROZWERT-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.49
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide (PubChem CID 120888204) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
PubChem CID120888204
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
SMILESCOCC1(CNC(=O)CC(C)(C)c2ccccc2)CCNCC1
InChIInChI=1S/C19H30N2O2/c1-18(2,16-7-5-4-6-8-16)13-17(22)21-14-19(15-23-3)9-11-20-12-10-19/h4-8,20H,9-15H2,1-3H3,(H,21,22)
InChIKeyOKVBRPUROZWERT-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide (CID 120888204) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide is COCC1(CNC(=O)CC(C)(C)c2ccccc2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide?
The InChIKey is OKVBRPUROZWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,16-7-5-4-6-8-16)13-17(22)21-14-19(15-23-3)9-11-20-12-10-19/h4-8,20H,9-15H2,1-3H3,(H,21,22).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 120888204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).