1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide

C16H29N3O3 — CID 120891848

IUPAC1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCCN(C(C)=O)C2)CCNCC1
InChIInChI=1S/C16H29N3O3/c1-13(20)19-9-3-4-14(10-19)15(21)18-11-16(12-22-2)5-7-17-8-6-16/h14,17H,3-12H2,1-2H3,(H,18,21)
InChIKeyNFUSZQKUEDBESS-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.38
Rot. Bonds5

About 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide

1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 120891848) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
PubChem CID120891848
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCCN(C(C)=O)C2)CCNCC1
InChIInChI=1S/C16H29N3O3/c1-13(20)19-9-3-4-14(10-19)15(21)18-11-16(12-22-2)5-7-17-8-6-16/h14,17H,3-12H2,1-2H3,(H,18,21)
InChIKeyNFUSZQKUEDBESS-UHFFFAOYSA-N
XLogP0.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide (CID 120891848) is 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide is COCC1(CNC(=O)C2CCCN(C(C)=O)C2)CCNCC1.
What is the InChIKey of 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is NFUSZQKUEDBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(20)19-9-3-4-14(10-19)15(21)18-11-16(12-22-2)5-7-17-8-6-16/h14,17H,3-12H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120891848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).