N-tert-butyl-2-piperidin-4-ylhex-5-enamide

C15H28N2O — CID 166949546

IUPACN-tert-butyl-2-piperidin-4-ylhex-5-enamide
SMILESC=CCCC(C(=O)NC(C)(C)C)C1CCNCC1
InChIInChI=1S/C15H28N2O/c1-5-6-7-13(12-8-10-16-11-9-12)14(18)17-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18)
InChIKeyXOUMGZGDEMRXBJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.48
Rot. Bonds5

About N-tert-butyl-2-piperidin-4-ylhex-5-enamide

N-tert-butyl-2-piperidin-4-ylhex-5-enamide (PubChem CID 166949546) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-tert-butyl-2-piperidin-4-ylhex-5-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-piperidin-4-ylhex-5-enamide
PubChem CID166949546
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-tert-butyl-2-piperidin-4-ylhex-5-enamide
SMILESC=CCCC(C(=O)NC(C)(C)C)C1CCNCC1
InChIInChI=1S/C15H28N2O/c1-5-6-7-13(12-8-10-16-11-9-12)14(18)17-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18)
InChIKeyXOUMGZGDEMRXBJ-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
N'-tert-butyl-3-[(2-methylcyclopropyl)methyl]-2-prop-2-enylbutanediamide
CID 22972632
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
3,3-dimethyl-2-piperidin-4-ylpentanoic acid
CID 123184489
N-piperidin-4-ylpent-4-enamide
CID 62679298
[(3S,4S)-4-methylocta-1,7-dien-3-yl] N-tert-butylcarbamate
CID 140541177
N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhex-5-enamide
CID 160798735
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-piperidin-4-ylhex-5-enamide?
The IUPAC name of N-tert-butyl-2-piperidin-4-ylhex-5-enamide (CID 166949546) is N-tert-butyl-2-piperidin-4-ylhex-5-enamide.
What is the SMILES notation for N-tert-butyl-2-piperidin-4-ylhex-5-enamide?
The canonical SMILES for N-tert-butyl-2-piperidin-4-ylhex-5-enamide is C=CCCC(C(=O)NC(C)(C)C)C1CCNCC1.
What is the InChIKey of N-tert-butyl-2-piperidin-4-ylhex-5-enamide?
The InChIKey is XOUMGZGDEMRXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-13(12-8-10-16-11-9-12)14(18)17-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-piperidin-4-ylhex-5-enamide?
N-tert-butyl-2-piperidin-4-ylhex-5-enamide has a molecular weight of 252.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-piperidin-4-ylhex-5-enamide is sourced from PubChem (CID 166949546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).