N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride

C19H31ClN2O — CID 119399928

IUPACN-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1C(C)(C)C)C1CCNCC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(15-9-11-20-12-10-15)13-18(22)21-17-8-6-5-7-16(17)19(2,3)4;/h5-8,14-15,20H,9-13H2,1-4H3,(H,21,22);1H
InChIKeyOPQDWUVWRMOPGV-UHFFFAOYSA-N
MW338.92 g/mol
LogP4.37
Rot. Bonds4

About N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119399928) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119399928
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1C(C)(C)C)C1CCNCC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(15-9-11-20-12-10-15)13-18(22)21-17-8-6-5-7-16(17)19(2,3)4;/h5-8,14-15,20H,9-13H2,1-4H3,(H,21,22);1H
InChIKeyOPQDWUVWRMOPGV-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119682089
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
CID 119684683
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752264
N-(2-tert-butylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876023
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
N-(2-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676039
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119399928) is N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccccc1C(C)(C)C)C1CCNCC1.Cl.
What is the InChIKey of N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is OPQDWUVWRMOPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14(15-9-11-20-12-10-15)13-18(22)21-17-8-6-5-7-16(17)19(2,3)4;/h5-8,14-15,20H,9-13H2,1-4H3,(H,21,22);1H.
What are the key properties of N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119399928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).