N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C20H27N3O2 — CID 155957365

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2)15(11-18(20)24)12-19(25)22-16-7-9-23(10-8-16)17-5-3-14(13-21)4-6-17/h3-6,15-16,18,24H,7-12H2,1-2H3,(H,22,25)
InChIKeyDOLZOKCSUBNFQK-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 155957365) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID155957365
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2)15(11-18(20)24)12-19(25)22-16-7-9-23(10-8-16)17-5-3-14(13-21)4-6-17/h3-6,15-16,18,24H,7-12H2,1-2H3,(H,22,25)
InChIKeyDOLZOKCSUBNFQK-UHFFFAOYSA-N
XLogP2.44
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate
CID 19391665
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 84594978
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022
3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 86880975
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 86873399
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 86880901
N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 86868590
N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 86883811
N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 86868641
(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
CID 156839415
(2S)-2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]hexanoic acid
CID 122044649

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 155957365) is N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is CC1(C)C(O)CC1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is DOLZOKCSUBNFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2)15(11-18(20)24)12-19(25)22-16-7-9-23(10-8-16)17-5-3-14(13-21)4-6-17/h3-6,15-16,18,24H,7-12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 155957365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).