N-butyl-4-tert-butylpiperidine-1-carboxamide

C14H28N2O — CID 113237148

IUPACN-butyl-4-tert-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-6-9-15-13(17)16-10-7-12(8-11-16)14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyUCDGHXKVDMMKLH-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.25
Rot. Bonds3

About N-butyl-4-tert-butylpiperidine-1-carboxamide

N-butyl-4-tert-butylpiperidine-1-carboxamide (PubChem CID 113237148) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butyl-4-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-tert-butylpiperidine-1-carboxamide
PubChem CID113237148
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butyl-4-tert-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-6-9-15-13(17)16-10-7-12(8-11-16)14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyUCDGHXKVDMMKLH-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-tert-butylpiperidine-1-carbothioamide
CID 115629754
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
CID 2805781
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 118688704
4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
CID 165457542
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-tert-butylpiperidine-1-carboxamide?
The IUPAC name of N-butyl-4-tert-butylpiperidine-1-carboxamide (CID 113237148) is N-butyl-4-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-tert-butylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-butyl-4-tert-butylpiperidine-1-carboxamide?
The InChIKey is UCDGHXKVDMMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-6-9-15-13(17)16-10-7-12(8-11-16)14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of N-butyl-4-tert-butylpiperidine-1-carboxamide?
N-butyl-4-tert-butylpiperidine-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 113237148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).