N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide

C17H25N3O4S — CID 94385821

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)s1
InChIInChI=1S/C17H25N3O4S/c1-12-2-3-15(25-12)16(21)19-13-4-6-20(7-5-13)17(22)18-10-14-11-23-8-9-24-14/h2-3,13-14H,4-11H2,1H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyIYCOTRVWCDHOOG-CQSZACIVSA-N
MW367.47 g/mol
LogP1.38
Rot. Bonds4

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 94385821) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide
PubChem CID94385821
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)s1
InChIInChI=1S/C17H25N3O4S/c1-12-2-3-15(25-12)16(21)19-13-4-6-20(7-5-13)17(22)18-10-14-11-23-8-9-24-14/h2-3,13-14H,4-11H2,1H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyIYCOTRVWCDHOOG-CQSZACIVSA-N
XLogP1.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide (CID 94385821) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)s1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is IYCOTRVWCDHOOG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12-2-3-15(25-12)16(21)19-13-4-6-20(7-5-13)17(22)18-10-14-11-23-8-9-24-14/h2-3,13-14H,4-11H2,1H3,(H,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 94385821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).