N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide

C21H34N2O — CID 119671508

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C21H34N2O/c1-14(2)18-9-6-10-19(15(3)4)21(18)23-20(24)12-16(5)17-8-7-11-22-13-17/h6,9-10,14-17,22H,7-8,11-13H2,1-5H3,(H,23,24)
InChIKeyOMSAGFJUQXKYJC-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.90
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide

N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119671508) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119671508
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C21H34N2O/c1-14(2)18-9-6-10-19(15(3)4)21(18)23-20(24)12-16(5)17-8-7-11-22-13-17/h6,9-10,14-17,22H,7-8,11-13H2,1-5H3,(H,23,24)
InChIKeyOMSAGFJUQXKYJC-UHFFFAOYSA-N
XLogP4.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119820458
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide (CID 119671508) is N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is OMSAGFJUQXKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-14(2)18-9-6-10-19(15(3)4)21(18)23-20(24)12-16(5)17-8-7-11-22-13-17/h6,9-10,14-17,22H,7-8,11-13H2,1-5H3,(H,23,24).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 330.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119671508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).