N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C19H33N3O2 — CID 46949905

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)o1
InChIInChI=1S/C19H33N3O2/c1-15-6-7-17(24-15)12-22-10-8-16(9-11-22)18(23)20-13-19(2,3)14-21(4)5/h6-7,16H,8-14H2,1-5H3,(H,20,23)
InChIKeyYRWJOASWSWQYET-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46949905) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46949905
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)o1
InChIInChI=1S/C19H33N3O2/c1-15-6-7-17(24-15)12-22-10-8-16(9-11-22)18(23)20-13-19(2,3)14-21(4)5/h6-7,16H,8-14H2,1-5H3,(H,20,23)
InChIKeyYRWJOASWSWQYET-UHFFFAOYSA-N
XLogP2.50
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 46949905) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)o1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YRWJOASWSWQYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15-6-7-17(24-15)12-22-10-8-16(9-11-22)18(23)20-13-19(2,3)14-21(4)5/h6-7,16H,8-14H2,1-5H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46949905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).