4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile

C20H29ClN4O — CID 163853273

IUPAC4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile
SMILESCC1(C)C(NN2CCC(N)CC2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C20H29ClN4O/c1-19(2)17(24-25-9-7-14(23)8-10-25)20(3,4)18(19)26-15-6-5-13(12-22)16(21)11-15/h5-6,11,14,17-18,24H,7-10,23H2,1-4H3
InChIKeyOWDVHGZWQGRQBK-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.32
Rot. Bonds4

About 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile

4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile (PubChem CID 163853273) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile
PubChem CID163853273
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile
SMILESCC1(C)C(NN2CCC(N)CC2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C20H29ClN4O/c1-19(2)17(24-25-9-7-14(23)8-10-25)20(3,4)18(19)26-15-6-5-13(12-22)16(21)11-15/h5-6,11,14,17-18,24H,7-10,23H2,1-4H3
InChIKeyOWDVHGZWQGRQBK-UHFFFAOYSA-N
XLogP3.32
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile with MolForge

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Related Compounds

2-chloro-4-(3-iodo-2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile
CID 163531856
2-chloro-4-[2,2,4,4-tetramethyl-3-[[4-(2-methylpropanoyl)cyclohexyl]amino]cyclobutyl]oxybenzonitrile
CID 176845596
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-3-(4-formylpiperidin-1-yl)cyclobutane-1-carboxamide
CID 134414366
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxamide
CID 176983003
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-(2-hydroxyethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 134413961
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridazine-3-carboxamide
CID 148941070
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-difluoro-4-(4-methylpiperazin-1-yl)benzamide
CID 155321912
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56648414
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-piperazin-1-ylpyrimidine-5-carboxamide
CID 134414205
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-(4-formylpiperidin-1-yl)pyridine-3-carboxamide
CID 162688899
2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
CID 154629182
4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2-chlorobenzonitrile;4-methylbenzenesulfonyl chloride
CID 126511606

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile?
The IUPAC name of 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile (CID 163853273) is 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile.
What is the SMILES notation for 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile?
The canonical SMILES for 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile is CC1(C)C(NN2CCC(N)CC2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile?
The InChIKey is OWDVHGZWQGRQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-19(2)17(24-25-9-7-14(23)8-10-25)20(3,4)18(19)26-15-6-5-13(12-22)16(21)11-15/h5-6,11,14,17-18,24H,7-10,23H2,1-4H3.
What are the key properties of 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile?
4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile has a molecular weight of 376.93 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile is sourced from PubChem (CID 163853273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).