1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide

C16H30N2O3 — CID 126816532

IUPAC1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(CC2COCCO2)C1
InChIInChI=1S/C16H30N2O3/c1-3-5-13(2)17-16(19)14-6-4-7-18(10-14)11-15-12-20-8-9-21-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyNFVAZVCQMPNXPU-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds6

About 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 126816532) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID126816532
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(CC2COCCO2)C1
InChIInChI=1S/C16H30N2O3/c1-3-5-13(2)17-16(19)14-6-4-7-18(10-14)11-15-12-20-8-9-21-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyNFVAZVCQMPNXPU-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 126816532) is 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(CC2COCCO2)C1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is NFVAZVCQMPNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-5-13(2)17-16(19)14-6-4-7-18(10-14)11-15-12-20-8-9-21-15/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 126816532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).