N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide

C20H32N2O — CID 100707416

IUPACN-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H32N2O/c1-5-19(23)21-18-7-6-13-22(15-18)14-12-16-8-10-17(11-9-16)20(2,3)4/h8-11,18H,5-7,12-15H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyRYTFVTQFUNEEJP-GOSISDBHSA-N
MW316.49 g/mol
LogP3.52
Rot. Bonds5

About N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide

N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide (PubChem CID 100707416) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
PubChem CID100707416
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H32N2O/c1-5-19(23)21-18-7-6-13-22(15-18)14-12-16-8-10-17(11-9-16)20(2,3)4/h8-11,18H,5-7,12-15H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyRYTFVTQFUNEEJP-GOSISDBHSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide
CID 100707753
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide
CID 56510280
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide (CID 100707416) is N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide is CCC(=O)N[C@@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide?
The InChIKey is RYTFVTQFUNEEJP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-19(23)21-18-7-6-13-22(15-18)14-12-16-8-10-17(11-9-16)20(2,3)4/h8-11,18H,5-7,12-15H2,1-4H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide?
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide has a molecular weight of 316.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 100707416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).