N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C14H28N2O2 — CID 111444336

IUPACN-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)(C)CCCNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)7-4-8-15-13(18)16-9-5-12(11-17)6-10-16/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyNLEMBGSUFXGBFO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.23
Rot. Bonds4

About N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111444336) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111444336
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)(C)CCCNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)7-4-8-15-13(18)16-9-5-12(11-17)6-10-16/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyNLEMBGSUFXGBFO-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
CID 84601030
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428245
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide
CID 166263013
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905
N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111176017
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111444336) is N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide is CC(C)(C)CCCNC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is NLEMBGSUFXGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)7-4-8-15-13(18)16-9-5-12(11-17)6-10-16/h12,17H,4-11H2,1-3H3,(H,15,18).
What are the key properties of N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111444336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).