N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide

C16H32N2O — CID 157028642

IUPACN-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(CCC(C)C)CC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-6-18(14(4)5)16(19)15-8-11-17(12-9-15)10-7-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyTUXWZXWKUBTFDV-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.00
Rot. Bonds6

About N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide

N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 157028642) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID157028642
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(CCC(C)C)CC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-6-18(14(4)5)16(19)15-8-11-17(12-9-15)10-7-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyTUXWZXWKUBTFDV-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
N-tert-butyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 51362667
N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 77038741
4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 126797416
2-(4-aminopiperidin-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 79333087
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307
methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
CID 157028689
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
3-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid
CID 62820513
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid
CID 62821049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 157028642) is N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(CCC(C)C)CC1)C(C)C.
What is the InChIKey of N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is TUXWZXWKUBTFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-18(14(4)5)16(19)15-8-11-17(12-9-15)10-7-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide?
N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 157028642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).